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190.83 0 5 -3 6067.43 204.37 0 5 -3 6207.97 196.19 0 5 4 209.40 8.58 0 5 4 210.42 9.82 0 5 -4 197.82 8.56 0 5 -4 201.59 8.34 0 5 5 2246.72 77.92 0 5 5 2198.55 76.19 0 5 -5 2181.74 77.49 0 5 -5 2231.25 80.83 0 5 -6 49.37 5.65 0 5 6 32.90 4.29 0 5 6 38.71 4.15 0 5 -6 46.89 5.54 0 5 7 1647.90 55.69 0 5 7 1534.57 60.23 0 5 -7 1455.04 68.69 0 5 8 121.04 9.88 0 5 8 105.51 9.49 0 6 0 3546.06 116.80 0 6 -1 1603.76 53.54 0 6 1 1619.27 54.02 0 6 1 1575.14 54.13 0 6 1 1613.25 54.31 0 6 2 7795.24 239.29 0 6 2 7156.00 237.85 0 6 2 7273.59 234.84 0 6 -2 7805.28 240.43 0 6 3 1051.09 36.48 0 6 3 1028.23 36.08 0 6 -3 1049.81 35.55 0 6 -3 1097.04 38.94 0 6 4 2147.81 71.27 0 6 4 2096.49 70.62 0 6 -4 2061.71 71.61 0 6 -4 2170.56 74.50 0 6 5 273.82 11.46 0 6 5 303.20 14.08 0 6 -5 310.40 14.26 0 6 -5 294.50 13.90 0 6 6 1377.41 50.31 0 6 6 1326.27 50.66 0 6 -6 1372.16 53.04 0 6 -6 1424.40 56.82 0 6 7 190.10 11.39 0 6 7 178.71 11.06 0 6 -7 149.32 12.73 0 6 8 1051.04 55.18 0 6 8 1030.52 56.17 0 7 0 0.00 1.39 0 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2.76 2.76 0 9 0 -2.71 2.71 0 9 -1 3485.13 114.97 0 9 1 3545.76 117.53 0 9 1 3324.03 109.36 0 9 1 3323.20 108.77 0 9 2 142.87 6.90 0 9 2 143.64 6.78 0 9 2 145.48 8.26 0 9 -2 149.32 6.97 0 9 3 2572.50 88.36 0 9 3 2671.05 91.03 0 9 -3 2789.63 96.00 0 9 4 44.79 4.21 0 9 -4 48.82 5.59 0 9 -4 55.96 4.07 0 9 5 1191.60 47.30 0 9 5 1283.03 52.94 0 9 -5 1182.92 49.85 0 9 -5 1309.35 51.50 0 9 6 61.46 7.15 0 9 6 73.29 5.66 0 9 -6 56.11 9.83 0 9 7 764.24 40.10 0 9 7 774.82 43.70 0 10 0 3289.55 108.58 0 10 0 2967.06 98.79 0 10 1 1280.16 46.90 0 10 -1 1259.99 46.06 0 10 1 1238.51 43.40 0 10 2 1565.03 58.09 0 10 2 1564.06 52.64 0 10 2 1488.52 54.77 0 10 -2 1584.46 58.80 0 10 3 316.99 13.98 0 10 3 334.52 15.32 0 10 -3 332.16 16.76 0 10 4 2700.81 102.37 0 10 -4 2724.81 106.21 0 10 -4 2993.57 112.97 0 10 4 3039.98 101.88 0 10 5 199.75 11.45 0 10 -5 184.58 14.06 0 10 -5 217.02 12.54 0 10 5 222.20 11.43 0 10 6 797.79 43.12 0 10 6 910.89 42.93 0 11 0 16.43 4.11 0 11 0 2.67 1.33 0 11 -1 2033.63 71.98 0 11 1 2151.33 78.59 0 11 1 2164.39 76.05 0 11 -1 2185.92 80.76 0 11 -2 35.80 4.14 0 11 2 47.94 5.48 0 11 2 47.22 4.06 0 11 2 47.97 5.49 0 11 -3 1990.88 82.78 0 11 3 2108.26 75.74 0 11 3 2176.15 78.86 0 11 4 166.51 9.91 0 11 4 185.52 9.93 0 11 -4 143.06 11.16 0 11 -4 167.52 9.78 0 11 5 803.69 44.40 0 11 5 937.29 44.49 0 11 6 149.19 12.93 0 11 6 177.23 12.83 0 12 0 578.38 27.52 0 12 0 601.04 23.03 0 12 -1 34.22 5.48 0 12 1 27.25 4.09 0 12 1 25.26 3.99 0 12 -1 26.93 4.04 0 12 2 4106.82 143.79 0 12 2 4167.46 144.05 0 12 -2 4127.82 156.26 0 12 3 12.48 4.16 0 12 3 8.30 4.15 0 12 -3 13.79 4.14 0 12 4 135.10 11.30 0 12 4 126.89 9.89 0 12 5 1.43 4.28 0 12 5 7.10 5.68 0 13 0 0.00 2.64 0 13 1 1475.83 58.45 0 13 -1 1395.76 54.40 0 13 2 14.92 2.72 0 13 -2 13.59 2.72 0 13 3 1052.91 51.56 0 13 3 1072.61 53.31 0 13 4 8.45 4.23 0 14 0 1016.90 50.88 0 14 1 305.46 17.54 0 14 2 1492.67 74.51 0 14 -2 1396.13 73.40 0 14 3 166.61 11.19 -1 -14 3 344.49 20.83 1 -14 -3 314.64 20.79 -1 -14 2 1405.72 72.36 1 -14 -2 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5 -4 -2 600.18 24.15 5 -4 -2 682.03 27.53 5 -4 -2 686.61 27.30 -5 -4 1 43.86 2.87 -5 -4 1 46.29 6.19 5 -4 -1 41.41 4.29 5 -4 -1 50.52 2.83 5 -4 -1 49.93 4.07 -5 -3 5 465.76 26.02 -5 -3 4 81.20 7.17 5 -3 -4 62.23 7.08 -5 -3 3 1612.66 59.24 -5 -3 3 1545.79 67.32 5 -3 -3 1715.56 61.21 5 -3 -3 1422.31 55.19 5 -3 -3 1594.66 62.81 -5 -3 2 74.12 4.35 -5 -3 2 67.56 6.19 5 -3 -2 76.00 4.27 5 -3 -2 64.48 4.16 5 -3 -2 79.66 5.62 -5 -3 1 1090.63 44.46 -5 -3 1 1069.17 36.13 -5 -3 1 1025.61 48.38 5 -3 -1 983.10 43.70 5 -3 -1 1020.10 42.35 -5 -2 5 231.30 15.96 -5 -2 5 209.43 15.20 -5 -2 4 1138.96 54.38 -5 -2 4 1090.70 57.28 5 -2 -4 1099.43 53.67 -5 -2 3 241.68 11.77 -5 -2 3 209.95 12.32 5 -2 -3 231.16 12.62 -5 -2 2 1827.44 68.94 -5 -2 2 1751.64 73.35 5 -2 -2 1755.63 63.56 5 -2 -2 2019.21 70.66 -5 -2 1 431.96 17.91 -5 -2 1 496.83 18.06 -5 -2 1 438.96 21.54 5 -2 -1 409.76 15.79 5 -2 -1 454.25 20.54 -5 -1 5 1108.76 55.92 -5 -1 5 991.29 55.25 -5 -1 4 47.76 4.37 -5 -1 4 39.78 5.91 5 -1 -4 45.83 5.56 -5 -1 3 1024.27 46.18 -5 -1 3 1022.77 45.82 5 -1 -3 914.09 39.09 5 -1 -3 1112.38 42.10 -5 -1 2 136.96 7.42 -5 -1 2 140.15 9.06 5 -1 -2 132.25 6.88 -5 -1 1 3006.24 92.26 -5 -1 1 17.22 66.23 -5 -1 1 3025.58 97.25 5 -1 -1 3591.65 88.20 5 -1 -1 3243.60 90.20 5 0 -3 9.57 2.74 5 0 -3 6.87 2.75 5 0 -2 3246.41 109.54 5 0 0 1055.53 39.97 5 0 1 2.58 2.58 5 0 2 3265.38 116.49 5 0 3 7.82 2.61 5 0 4 1194.73 59.75 5 0 5 6.85 4.11 5 1 0 23.03 1.37 5 1 0 18.73 2.68 5 1 1 449.69 18.57 5 1 2 24.24 2.56 5 1 3 3766.67 135.53 5 1 4 167.22 10.60 5 1 5 506.96 27.13 5 2 0 1599.91 58.89 5 2 0 1602.06 60.57 5 2 1 328.13 14.59 5 2 2 1532.78 60.12 5 2 3 153.68 9.04 5 2 4 1724.78 81.75 5 2 5 191.30 13.35 5 3 0 9.42 2.69 5 3 0 3.95 3.95 5 3 1 3609.95 128.68 5 3 2 19.22 3.85 5 3 3 861.75 35.21 5 3 4 60.97 5.21 5 3 5 1869.93 90.76 5 4 0 2495.80 94.28 5 4 0 2676.62 97.58 5 4 1 2.70 1.35 5 4 1 -1.29 2.58 5 4 2 876.44 36.59 5 4 3 97.31 6.45 5 4 4 1917.70 89.27 5 4 5 6.59 5.27 5 5 0 90.94 5.36 5 5 0 95.67 6.53 5 5 1 3436.51 121.52 5 5 1 3397.08 121.94 5 5 2 114.67 7.71 5 5 3 375.83 20.67 5 5 4 222.66 13.05 5 6 0 1869.34 70.12 5 6 1 213.36 11.60 5 6 2 1987.67 93.00 5 6 3 73.89 7.67 5 6 4 789.44 41.76 5 7 0 105.71 8.97 5 7 1 874.60 42.58 5 7 2 107.72 7.67 5 7 3 1651.05 79.74 5 8 0 667.98 34.71 5 8 1 -2.53 6.34 5 8 2 2016.92 94.21 5 8 3 62.06 7.62 5 9 0 44.34 7.61 5 9 1 661.21 35.93 -6 -5 1 481.45 25.80 -6 -5 1 433.19 29.96 -6 -4 2 523.15 26.07 -6 -4 2 455.28 28.42 -6 -4 1 32.50 2.99 -6 -4 1 12.33 4.63 -6 -3 2 251.54 15.23 -6 -3 2 245.22 17.10 -6 -3 1 458.73 24.59 -6 -3 1 493.73 28.03 -6 -2 3 5.96 2.98 -6 -2 3 4.53 3.02 -6 -2 2 894.82 44.68 -6 -2 2 875.31 46.46 -6 -2 1 68.22 7.61 6 -2 -1 71.84 5.57 -6 -1 3 413.12 21.38 -6 -1 3 342.53 22.66 -6 -1 2 133.67 9.12 -6 -1 2 122.80 10.57 -6 -1 1 1598.98 82.92 6 -1 -1 1652.67 76.00 6 0 -1 1.39 2.78 6 0 0 715.29 35.81 6 0 1 6.54 3.92 6 0 2 1367.25 64.70 6 0 3 7.94 3.97 6 1 0 332.92 19.27 6 1 1 722.81 36.11 6 1 2 149.96 10.42 6 1 3 2248.57 101.91 6 2 0 1035.02 52.58 6 2 1 57.99 5.30 6 2 2 1625.56 76.42 6 2 3 58.17 6.48 6 3 0 293.44 16.44 6 3 1 1872.41 88.90 6 3 2 146.36 10.45 6 4 0 1374.99 67.01 6 4 1 66.72 6.58 6 4 2 1152.85 56.63 6 5 0 144.47 10.64 6 5 1 1870.35 91.71 0 0 0 All data : Intensity : =1316.3; = 23.2; /= 56.7 Redundancy : 5.3 (10%= 2.2; 50%= 5.2; 90%= 8.5) Completeness: 971 out of 984 ( 98.7%) Consistency : R1=0.047; R2=0.094; Rmeas=0.052; Chi2=5.63; RmrgdI=0.057