#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppm s ALA 2 N 0.00 3.81 0.07 0.00 0.00 -0.18 -4.73 121.76 120.73 1ppm s ALA 2 Ca 0.00 -1.05 -0.27 0.00 0.00 0.00 0.00 51.96 50.64 1ppm s ALA 2 Cb 0.00 -2.00 0.09 0.00 0.00 0.00 0.00 23.12 21.21 1ppm s ALA 2 CO 0.00 -0.03 0.84 -1.54 0.00 0.00 0.00 175.76 175.03 1ppm s SER 3 N -4.07 -0.37 -0.02 0.00 1.04 -1.26 -1.17 113.70 107.86 1ppm s SER 3 Ca 0.41 -0.10 -0.30 0.00 0.48 0.00 0.00 55.95 56.44 1ppm s SER 3 Cb -0.10 0.46 0.11 0.00 0.10 0.00 0.00 66.02 66.59 1ppm s SER 3 CO 0.34 -0.78 1.03 -0.83 0.98 0.00 0.00 173.24 173.99 1ppm s GLY 4 N -2.64 -0.37 -0.08 7.32 0.00 -0.70 -4.70 107.32 106.15 1ppm s GLY 4 Ca 0.06 0.93 0.02 0.00 0.00 0.00 0.00 44.72 45.72 1ppm s GLY 4 CO -0.07 0.28 -0.13 0.14 0.00 0.00 0.00 173.10 173.32 1ppm s VAL 5 N -2.90 1.27 -0.11 1.40 1.01 -1.22 0.09 120.40 119.94 1ppm s VAL 5 Ca 0.09 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1ppm s VAL 5 Cb -0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1ppm s VAL 5 CO -0.05 0.39 -0.15 0.00 0.00 0.00 0.00 175.10 175.29 1ppm s ALA 6 N 0.85 2.57 -0.10 5.51 0.00 -0.20 -4.46 121.76 125.91 1ppm s ALA 6 Ca -0.11 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 1ppm s ALA 6 Cb -0.15 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1ppm s ALA 6 CO 0.01 0.32 0.46 0.99 0.00 0.00 0.00 175.76 177.55 1ppm s THR 7 N 0.10 5.16 0.21 0.00 2.01 -1.26 -0.79 115.64 121.07 1ppm s THR 7 Ca -0.07 0.93 0.06 0.00 0.31 0.00 0.00 61.69 62.92 1ppm s THR 7 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1ppm s THR 7 CO 0.05 0.36 0.19 0.54 -0.69 0.00 0.00 174.62 175.07 1ppm s ASN 8 N 0.37 5.64 -0.03 3.53 2.20 -0.52 -4.43 114.94 121.71 1ppm s ASN 8 Ca 0.25 -0.15 -0.01 0.00 -0.94 0.00 0.00 52.86 52.02 1ppm s ASN 8 Cb -0.15 -1.49 0.03 0.00 -2.00 0.00 0.00 41.25 37.63 1ppm s ASN 8 CO 0.11 0.01 0.06 0.28 -2.94 0.00 0.00 177.10 174.62 1ppm s THR 9 N -1.94 -0.04 0.48 0.54 -1.32 -0.17 -1.13 115.64 112.07 1ppm s THR 9 Ca 0.32 0.15 -0.21 0.00 -1.21 0.00 0.00 61.69 60.75 1ppm s THR 9 Cb -0.09 -0.12 -0.08 0.00 -1.51 0.00 0.00 72.50 70.70 1ppm s THR 9 CO 0.25 0.06 1.05 -2.16 -2.21 0.00 0.00 174.62 171.61 1ppm s PRO 10 N 0.83 3.79 0.14 7.08 0.04 -1.26 -1.23 135.00 144.40 1ppm s PRO 10 Ca -0.07 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 1ppm s PRO 10 Cb -0.09 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1ppm s PRO 10 CO -0.03 -0.44 0.19 0.25 0.04 0.00 0.00 177.00 177.01 1ppm n THR 11 N -0.90 0.00 -1.65 1.26 -2.24 0.05 -4.86 114.28 105.93 1ppm n THR 11 Ca 0.09 -0.25 -0.47 0.00 -2.27 0.00 0.00 64.05 61.15 1ppm n THR 11 Cb 0.52 -1.47 -0.04 0.00 -2.10 0.00 0.00 70.33 67.24 1ppm n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ppm n ALA 12 N -3.03 0.65 -1.52 6.98 0.00 -1.26 -0.77 120.51 121.56 1ppm n ALA 12 Ca -0.03 0.44 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 1ppm n ALA 12 Cb 0.10 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.24 1ppm n ALA 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ppm n ASN 13 N 2.60 -4.88 -3.00 0.00 4.13 -1.26 -2.00 115.26 110.85 1ppm n ASN 13 Ca 0.15 0.45 -0.21 0.00 1.68 0.00 0.00 54.58 56.64 1ppm n ASN 13 Cb 0.28 -4.32 0.05 0.00 -1.54 0.00 0.00 39.78 34.25 1ppm n ASN 13 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1ppm n ASP 14 N -1.09 -5.82 -0.12 6.41 10.43 0.05 -4.90 116.55 121.51 1ppm n ASP 14 Ca -0.18 -0.37 -0.07 0.00 2.57 0.00 0.00 54.79 56.74 1ppm n ASP 14 Cb 0.60 -4.54 0.11 0.00 1.84 0.00 0.00 41.12 39.13 1ppm n ASP 14 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1ppm h GLU 15 N -1.84 0.83 -3.62 -1.24 4.81 -1.53 -3.46 114.58 108.54 1ppm h GLU 15 Ca -0.49 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 58.39 1ppm h GLU 15 Cb 1.33 -0.07 -0.11 0.00 0.63 0.00 0.00 28.75 30.53 1ppm h GLU 15 CO 0.51 0.90 -0.15 -1.83 -0.73 0.00 0.00 179.01 177.70 1ppm s GLU 16 N -4.83 1.29 -0.12 1.92 -1.05 -1.26 -4.53 118.70 110.13 1ppm s GLU 16 Ca -0.10 -1.05 0.02 0.00 -0.15 0.00 0.00 54.97 53.69 1ppm s GLU 16 Cb 0.14 0.45 -0.01 0.00 -0.44 0.00 0.00 34.13 34.27 1ppm s GLU 16 CO 0.83 -0.51 -0.18 0.71 0.95 0.00 0.00 175.26 177.05 1ppm s TYR 17 N -3.93 2.70 0.12 4.83 1.51 -1.26 -0.77 117.35 120.54 1ppm s TYR 17 Ca 0.14 -0.83 0.11 0.00 -1.01 0.00 0.00 57.07 55.48 1ppm s TYR 17 Cb 0.01 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1ppm s TYR 17 CO -0.00 -0.31 -0.26 0.96 -1.11 0.00 0.00 175.55 174.83 1ppm s ILE 18 N 0.35 2.19 -0.00 2.71 -4.36 -0.36 -4.08 121.20 117.64 1ppm s ILE 18 Ca -0.15 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 1ppm s ILE 18 Cb -0.17 -1.94 -0.00 0.00 1.25 0.00 0.00 42.46 41.60 1ppm s ILE 18 CO 0.07 0.10 -0.02 -0.89 0.24 0.00 0.00 174.94 174.44 1ppm s THR 19 N -1.05 0.15 0.34 8.37 2.01 -0.37 -0.99 115.64 124.10 1ppm s THR 19 Ca 0.13 -0.10 -0.27 0.00 0.31 0.00 0.00 61.69 61.75 1ppm s THR 19 Cb -0.10 -0.14 -0.09 0.00 0.01 0.00 0.00 72.50 72.18 1ppm s THR 19 CO 0.05 0.03 1.15 -2.16 -0.69 0.00 0.00 174.62 173.00 1ppm s PRO 20 N -0.08 4.37 -0.02 4.92 0.04 -1.26 -1.16 135.00 141.81 1ppm s PRO 20 Ca 0.00 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1ppm s PRO 20 Cb -0.01 -2.94 0.02 0.00 0.04 0.00 0.00 34.50 31.61 1ppm s PRO 20 CO -0.00 -0.05 0.01 0.08 0.04 0.00 0.00 177.00 177.08 1ppm s VAL 21 N -1.29 0.04 -0.28 -0.36 1.01 -0.08 -4.64 120.40 114.80 1ppm s VAL 21 Ca 0.50 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.52 1ppm s VAL 21 Cb -0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1ppm s VAL 21 CO 0.41 0.10 0.17 -0.89 0.00 0.00 0.00 175.10 174.88 1ppm s THR 22 N 0.89 5.06 -0.23 3.92 2.01 -0.63 -0.87 115.64 125.79 1ppm s THR 22 Ca -0.08 0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1ppm s THR 22 Cb -0.11 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 69.01 1ppm s THR 22 CO -0.02 0.25 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.40 1ppm s ILE 23 N 1.72 2.41 -1.47 1.82 1.01 -0.17 -0.51 121.20 126.00 1ppm s ILE 23 Ca 0.07 -1.14 -0.09 0.00 0.00 0.00 0.00 60.65 59.49 1ppm s ILE 23 Cb -0.16 -2.19 0.06 0.00 0.01 0.00 0.00 42.46 40.18 1ppm s ILE 23 CO 0.09 0.27 0.85 0.61 0.00 0.00 0.00 174.94 176.77 1ppm n GLY 24 N 4.59 -0.42 2.53 6.18 0.00 0.10 -1.73 105.19 116.44 1ppm n GLY 24 Ca -0.18 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ppm n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppm n GLY 25 N -1.67 3.16 3.78 -0.02 0.00 -1.26 -4.89 105.19 104.29 1ppm n GLY 25 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1ppm n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ppm s THR 26 N -1.71 5.32 -0.17 2.61 2.01 -0.71 -5.07 115.64 117.93 1ppm s THR 26 Ca 0.00 0.47 -0.13 0.00 0.31 0.00 0.00 61.69 62.35 1ppm s THR 26 Cb 0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 1ppm s THR 26 CO 0.00 0.48 0.25 -0.89 -0.69 0.00 0.00 174.62 173.77 1ppm s THR 27 N -0.12 5.33 0.16 -0.82 2.01 -1.26 -1.00 115.64 119.94 1ppm s THR 27 Ca 0.16 0.46 0.11 0.00 0.31 0.00 0.00 61.69 62.73 1ppm s THR 27 Cb -0.13 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1ppm s THR 27 CO 0.05 0.41 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.38 1ppm s LEU 28 N 0.37 2.41 -0.42 4.42 1.02 -0.05 -4.91 118.68 121.53 1ppm s LEU 28 Ca 0.15 -0.80 -0.14 0.00 0.02 0.00 0.00 54.13 53.36 1ppm s LEU 28 Cb -0.13 -1.22 0.04 0.00 0.02 0.00 0.00 46.19 44.91 1ppm s LEU 28 CO 0.03 0.15 0.31 0.20 0.02 0.00 0.00 176.35 177.05 1ppm s ASN 29 N -2.41 6.01 0.23 2.29 0.01 -1.26 -0.90 114.94 118.90 1ppm s ASN 29 Ca 0.18 -1.09 0.08 0.00 -0.71 0.00 0.00 52.86 51.33 1ppm s ASN 29 Cb -0.09 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 1ppm s ASN 29 CO 0.08 -0.50 0.02 -0.76 -1.51 0.00 0.00 177.10 174.44 1ppm s LEU 30 N 1.62 3.31 -0.31 0.60 1.43 -0.30 -0.64 118.68 124.39 1ppm s LEU 30 Ca 0.04 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.47 1ppm s LEU 30 Cb -0.21 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1ppm s LEU 30 CO 0.08 0.03 0.49 0.21 0.23 0.00 0.00 176.35 177.39 1ppm s ASN 31 N -3.39 6.34 -0.11 2.29 3.04 -0.16 -1.23 114.94 121.71 1ppm s ASN 31 Ca 0.30 0.16 -0.30 0.00 0.04 0.00 0.00 52.86 53.07 1ppm s ASN 31 Cb -0.08 -2.26 -0.01 0.00 -1.54 0.00 0.00 41.25 37.36 1ppm s ASN 31 CO 0.20 -0.39 1.05 -0.36 -3.04 0.00 0.00 177.10 174.56 1ppm s PHE 32 N 2.32 3.43 -0.25 0.43 0.40 -1.26 -1.63 117.98 121.42 1ppm s PHE 32 Ca 0.19 1.50 0.01 0.00 -0.60 0.00 0.00 56.93 58.03 1ppm s PHE 32 Cb -0.16 -3.24 0.07 0.00 0.51 0.00 0.00 43.02 40.20 1ppm s PHE 32 CO 0.12 -0.47 -0.02 0.34 0.70 0.00 0.00 175.22 175.89 1ppm s ASP 33 N 1.19 3.88 0.00 1.36 3.68 0.12 -4.21 116.67 122.70 1ppm s ASP 33 Ca 0.49 -1.30 0.24 0.00 2.13 0.00 0.00 52.55 54.11 1ppm s ASP 33 Cb -0.19 -1.14 1.38 0.00 -1.45 0.00 0.00 42.92 41.52 1ppm s ASP 33 CO 0.17 -0.28 1.79 0.35 0.13 0.00 0.00 175.17 177.34 1ppm n THR 34 N 4.68 0.06 0.70 1.71 -2.24 -1.26 -0.62 114.28 117.32 1ppm n THR 34 Ca -0.09 0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.83 1ppm n THR 34 Cb 0.44 -0.64 0.20 0.00 -2.10 0.00 0.00 70.33 68.23 1ppm n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ppm n GLY 35 N 0.54 1.27 3.26 3.38 0.00 -1.26 -3.44 105.19 108.94 1ppm n GLY 35 Ca 0.17 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1ppm n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ppm s SER 36 N -1.72 0.11 -0.16 1.61 1.04 -1.17 -4.92 113.70 108.50 1ppm s SER 36 Ca 0.34 -0.83 0.15 0.00 0.48 0.00 0.00 55.95 56.10 1ppm s SER 36 Cb 0.21 0.38 0.34 0.00 0.10 0.00 0.00 66.02 67.05 1ppm s SER 36 CO 0.31 -0.81 1.18 0.00 0.98 0.00 0.00 173.24 174.89 1ppm n ALA 37 N -0.14 2.83 -2.63 5.32 0.00 -1.26 -1.38 120.51 123.26 1ppm n ALA 37 Ca -0.10 -2.86 -0.34 0.00 0.00 0.00 0.00 53.44 50.14 1ppm n ALA 37 Cb 0.63 -0.38 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 1ppm n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ppm s ASP 38 N -2.96 4.60 -0.45 0.00 -0.00 -1.26 -4.50 116.67 112.10 1ppm s ASP 38 Ca 0.34 -0.05 -0.09 0.00 -0.00 0.00 0.00 52.55 52.75 1ppm s ASP 38 Cb 0.31 -1.22 0.11 0.00 -0.00 0.00 0.00 42.92 42.12 1ppm s ASP 38 CO -0.02 0.34 0.31 -0.22 -0.00 0.00 0.00 175.17 175.59 1ppm s LEU 39 N -0.67 5.51 0.10 1.23 0.20 -1.26 -1.76 118.68 122.04 1ppm s LEU 39 Ca 0.10 -1.78 0.10 0.00 0.69 0.00 0.00 54.13 53.24 1ppm s LEU 39 Cb -0.11 -2.00 -0.04 0.00 -0.43 0.00 0.00 46.19 43.61 1ppm s LEU 39 CO 0.02 -0.64 -0.26 -1.66 -0.29 0.00 0.00 176.35 173.52 1ppm s TRP 40 N 1.38 2.20 0.05 5.38 1.48 -0.46 -0.96 118.94 128.00 1ppm s TRP 40 Ca 0.05 -0.39 0.02 0.00 -1.06 0.00 0.00 56.10 54.71 1ppm s TRP 40 Cb -0.25 -1.22 -0.03 0.00 -1.16 0.00 0.00 33.47 30.81 1ppm s TRP 40 CO 0.00 0.26 -0.07 0.14 -4.06 0.00 0.00 176.95 173.23 1ppm s VAL 41 N -1.01 0.52 0.49 -0.66 -7.23 -0.20 -1.40 120.40 110.90 1ppm s VAL 41 Ca 0.12 -1.29 -0.23 0.00 -1.81 0.00 0.00 61.98 58.77 1ppm s VAL 41 Cb -0.10 -0.85 -0.07 0.00 0.56 0.00 0.00 36.38 35.92 1ppm s VAL 41 CO 0.05 -0.53 1.35 -0.36 -0.31 0.00 0.00 175.10 175.29 1ppm s PHE 42 N -2.00 2.48 0.26 2.82 0.40 -0.40 -0.83 117.98 120.70 1ppm s PHE 42 Ca -0.05 1.37 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 1ppm s PHE 42 Cb -0.06 -3.76 -0.03 0.00 0.51 0.00 0.00 43.02 39.68 1ppm s PHE 42 CO -0.01 -2.62 0.24 -1.54 0.70 0.00 0.00 175.22 171.98 1ppm s SER 43 N -0.85 0.69 0.00 1.36 1.04 -1.26 -1.51 113.70 113.18 1ppm s SER 43 Ca 0.65 -1.48 0.23 0.00 0.48 0.00 0.00 55.95 55.84 1ppm s SER 43 Cb -0.40 0.48 1.32 0.00 0.10 0.00 0.00 66.02 67.52 1ppm s SER 43 CO 0.49 -0.98 1.76 0.35 0.98 0.00 0.00 173.24 175.83 1ppm n THR 44 N -0.42 0.10 1.35 2.02 -2.24 -0.69 -2.57 114.28 111.83 1ppm n THR 44 Ca 0.03 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1ppm n THR 44 Cb 0.64 -0.66 0.47 0.00 -2.10 0.00 0.00 70.33 68.68 1ppm n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ppm n GLU 45 N -1.10 1.00 -2.02 -0.78 1.02 -1.26 -4.84 120.64 112.67 1ppm n GLU 45 Ca 0.15 -0.54 -0.31 0.00 -0.02 0.00 0.00 57.16 56.45 1ppm n GLU 45 Cb 0.11 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.05 1ppm n GLU 45 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ppm s LEU 46 N -2.37 3.31 0.38 -4.62 1.43 -1.06 -4.77 118.68 110.99 1ppm s LEU 46 Ca 0.29 1.36 -0.26 0.00 -1.03 0.00 0.00 54.13 54.48 1ppm s LEU 46 Cb 0.20 -4.39 -0.11 0.00 0.03 0.00 0.00 46.19 41.92 1ppm s LEU 46 CO 0.46 -0.81 1.23 -2.65 0.23 0.00 0.00 176.35 174.81 1ppm n PRO 47 N -2.60 1.90 -0.22 1.29 -0.02 -1.26 -4.82 135.00 129.27 1ppm n PRO 47 Ca 0.05 0.67 0.16 0.00 -2.02 0.00 0.00 63.50 62.36 1ppm n PRO 47 Cb 0.54 -2.28 0.48 0.00 -0.02 0.00 0.00 33.50 32.22 1ppm n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ppm h ALA 48 N 2.19 2.08 0.00 3.55 0.00 -1.95 -1.83 119.26 123.31 1ppm h ALA 48 Ca -0.46 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1ppm h ALA 48 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1ppm h ALA 48 CO 0.61 -0.33 -0.25 0.66 0.00 0.00 0.00 179.25 179.93 1ppm h SER 49 N 0.47 0.00 1.82 0.00 4.64 -1.99 -2.51 113.55 115.99 1ppm h SER 49 Ca 0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.73 1ppm h SER 49 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1ppm h SER 49 CO -0.16 0.25 -0.18 1.56 -0.87 0.00 0.00 176.83 177.43 1ppm h GLN 50 N 0.00 0.00 0.00 4.77 4.20 -1.68 -3.25 115.11 119.14 1ppm h GLN 50 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1ppm h GLN 50 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1ppm h GLN 50 CO 0.03 0.07 -0.23 1.96 -0.67 0.00 0.00 178.83 179.99 1ppm h GLN 51 N 0.00 0.00 -6.47 1.46 4.20 -1.36 -3.47 115.11 109.47 1ppm h GLN 51 Ca -0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.12 1ppm h GLN 51 Cb 1.06 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.89 1ppm h GLN 51 CO 0.01 0.23 0.88 0.43 -0.67 0.00 0.00 178.83 179.71 1ppm n SER 52 N -3.24 3.25 0.00 1.46 7.64 -1.20 -2.29 113.62 119.25 1ppm n SER 52 Ca 0.02 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1ppm n SER 52 Cb 0.54 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1ppm n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppm n GLY 53 N 3.66 0.50 3.25 0.23 0.00 -1.26 -5.03 105.19 106.54 1ppm n GLY 53 Ca 0.18 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1ppm n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ppm s HIS 54 N -2.00 1.26 -0.07 1.61 4.02 -0.97 -4.87 115.29 114.28 1ppm s HIS 54 Ca 0.00 -0.99 -0.17 0.00 1.02 0.00 0.00 55.06 54.92 1ppm s HIS 54 Cb 0.00 -0.72 -0.05 0.00 -1.02 0.00 0.00 32.58 30.79 1ppm s HIS 54 CO 0.00 -0.17 0.46 -1.12 1.02 0.00 0.00 174.74 174.94 1ppm s SER 55 N -3.19 6.75 0.13 1.40 0.01 -1.26 -5.05 113.70 112.49 1ppm s SER 55 Ca 0.24 0.89 0.09 0.00 1.31 0.00 0.00 55.95 58.48 1ppm s SER 55 Cb 0.06 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1ppm s SER 55 CO 0.04 0.12 -0.22 0.68 0.41 0.00 0.00 173.24 174.27 1ppm s VAL 56 N -0.01 1.94 0.09 3.43 -7.23 -1.26 -4.73 120.40 112.63 1ppm s VAL 56 Ca 0.25 -1.73 -0.19 0.00 -1.81 0.00 0.00 61.98 58.51 1ppm s VAL 56 Cb -0.16 -1.79 -0.07 0.00 0.56 0.00 0.00 36.38 34.93 1ppm s VAL 56 CO 0.12 -0.08 0.58 -0.47 -0.31 0.00 0.00 175.10 174.94 1ppm s TYR 57 N -1.37 3.79 -0.35 2.82 6.04 -0.57 -4.89 117.35 122.82 1ppm s TYR 57 Ca 0.12 1.27 -0.00 0.00 0.04 0.00 0.00 57.07 58.50 1ppm s TYR 57 Cb -0.09 -2.50 0.09 0.00 -1.04 0.00 0.00 41.96 38.42 1ppm s TYR 57 CO 0.06 0.57 0.09 1.21 -1.54 0.00 0.00 175.55 175.93 1ppm s ASN 58 N -1.18 4.98 0.53 4.32 2.47 -1.26 -1.71 114.94 123.09 1ppm s ASN 58 Ca 0.30 -1.81 0.20 0.00 0.42 0.00 0.00 52.86 51.97 1ppm s ASN 58 Cb -0.19 -1.73 1.34 0.00 -1.45 0.00 0.00 41.25 39.22 1ppm s ASN 58 CO 0.19 -0.40 2.09 -0.65 -3.72 0.00 0.00 177.10 174.61 1ppm h PRO 59 N 7.91 0.00 -0.18 0.43 0.11 -1.96 -2.82 132.00 135.48 1ppm h PRO 59 Ca -0.13 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.89 1ppm h PRO 59 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1ppm h PRO 59 CO 0.59 0.00 -0.28 0.77 -0.21 0.00 0.00 178.00 178.87 1ppm h SER 60 N 0.00 0.35 0.42 -2.05 0.02 -1.94 0.22 113.55 110.57 1ppm h SER 60 Ca 0.10 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1ppm h SER 60 Cb 0.40 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1ppm h SER 60 CO -0.00 0.62 -0.20 0.00 -1.14 0.00 0.00 176.83 176.11 1ppm h ALA 61 N 1.41 -0.57 0.00 3.77 0.00 -1.94 -3.41 119.26 118.52 1ppm h ALA 61 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ppm h ALA 61 Cb 0.65 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ppm h ALA 61 CO 0.05 -0.82 0.00 0.25 0.00 0.00 0.00 179.25 178.73 1ppm n THR 62 N -5.33 0.00 -2.13 0.00 -2.24 -1.22 -5.11 114.28 98.25 1ppm n THR 62 Ca -0.11 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 1ppm n THR 62 Cb 0.24 1.01 0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1ppm n THR 62 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ppm s GLY 63 N -0.34 1.61 -0.27 3.38 0.00 0.78 -4.84 107.32 107.65 1ppm s GLY 63 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 44.72 44.25 1ppm s GLY 63 CO 0.00 -0.14 -0.03 0.54 0.00 0.00 0.00 173.10 173.47 1ppm s LYS 64 N -5.16 2.75 0.42 2.90 -0.14 -0.49 -4.82 119.74 115.21 1ppm s LYS 64 Ca 0.55 -1.04 -0.25 0.00 -1.36 0.00 0.00 55.97 53.87 1ppm s LYS 64 Cb -0.11 -3.09 -0.08 0.00 -1.68 0.00 0.00 37.83 32.87 1ppm s LYS 64 CO 0.49 -0.47 1.24 -2.00 -0.76 0.00 0.00 175.35 173.86 1ppm s GLU 65 N 1.33 3.90 -0.75 1.68 2.12 -1.26 -0.46 118.70 125.25 1ppm s GLU 65 Ca -0.01 2.00 -0.15 0.00 0.36 0.00 0.00 54.97 57.17 1ppm s GLU 65 Cb -0.18 -2.64 0.18 0.00 0.26 0.00 0.00 34.13 31.75 1ppm s GLU 65 CO -0.03 -0.50 0.73 -0.51 -0.54 0.00 0.00 175.26 174.42 1ppm s LEU 66 N -2.62 6.37 0.09 2.70 1.43 -0.05 -4.91 118.68 121.70 1ppm s LEU 66 Ca 0.59 -2.33 -0.35 0.00 -1.03 0.00 0.00 54.13 51.01 1ppm s LEU 66 Cb -0.34 -2.23 -0.14 0.00 0.03 0.00 0.00 46.19 43.50 1ppm s LEU 66 CO 0.43 -0.73 1.57 -0.24 0.23 0.00 0.00 176.35 177.62 1ppm n SER 67 N 4.68 2.75 0.00 2.29 2.88 -1.26 -2.13 113.62 122.83 1ppm n SER 67 Ca 0.06 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1ppm n SER 67 Cb 0.45 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1ppm n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ppm n GLY 68 N 3.37 1.04 3.81 0.46 0.00 -1.26 -5.04 105.19 107.57 1ppm n GLY 68 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1ppm n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ppm s TYR 69 N -2.81 3.67 0.28 1.61 1.51 -0.91 -4.61 117.35 116.10 1ppm s TYR 69 Ca 0.00 0.91 0.02 0.00 -1.01 0.00 0.00 57.07 56.99 1ppm s TYR 69 Cb 0.00 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.49 1ppm s TYR 69 CO 0.00 0.55 0.10 0.95 -1.11 0.00 0.00 175.55 176.04 1ppm s THR 70 N -0.71 0.65 0.03 -0.71 -4.23 -0.53 -3.77 115.64 106.38 1ppm s THR 70 Ca 0.23 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.67 1ppm s THR 70 Cb -0.16 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.03 1ppm s THR 70 CO 0.11 0.00 0.12 -1.66 -0.54 0.00 0.00 174.62 172.65 1ppm s TRP 71 N -3.64 0.15 -0.29 3.99 1.48 -0.83 -0.53 118.94 119.28 1ppm s TRP 71 Ca 0.37 -0.42 -0.09 0.00 -1.06 0.00 0.00 56.10 54.90 1ppm s TRP 71 Cb 0.08 -0.11 0.13 0.00 -1.16 0.00 0.00 33.47 32.40 1ppm s TRP 71 CO 0.14 -0.37 0.61 0.45 -4.06 0.00 0.00 176.95 173.73 1ppm s SER 72 N -2.04 -1.02 0.02 -2.66 0.15 -1.26 -1.88 113.70 105.01 1ppm s SER 72 Ca -0.06 1.47 0.05 0.00 0.70 0.00 0.00 55.95 58.11 1ppm s SER 72 Cb -0.02 2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 66.43 1ppm s SER 72 CO -0.04 -0.22 -0.16 -0.51 1.20 0.00 0.00 173.24 173.51 1ppm s ILE 73 N 2.86 1.29 -0.11 6.45 2.07 0.38 -4.89 121.20 129.24 1ppm s ILE 73 Ca -0.04 -0.89 0.03 0.00 -1.41 0.00 0.00 60.65 58.34 1ppm s ILE 73 Cb -0.12 -1.11 0.00 0.00 0.13 0.00 0.00 42.46 41.36 1ppm s ILE 73 CO -0.18 0.21 -0.22 -0.44 -1.91 0.00 0.00 174.94 172.39 1ppm s SER 74 N -0.79 3.18 0.52 4.50 0.01 -1.26 -1.74 113.70 118.12 1ppm s SER 74 Ca 0.05 -0.55 0.09 0.00 1.31 0.00 0.00 55.95 56.84 1ppm s SER 74 Cb -0.07 -1.44 0.05 0.00 0.21 0.00 0.00 66.02 64.77 1ppm s SER 74 CO 0.00 0.14 0.66 -0.31 0.41 0.00 0.00 173.24 174.14 1ppm s TYR 75 N 0.47 1.88 0.43 2.43 1.51 -0.08 -5.00 117.35 118.98 1ppm s TYR 75 Ca -0.15 -0.64 0.13 0.00 -1.01 0.00 0.00 57.07 55.40 1ppm s TYR 75 Cb -0.17 -2.21 0.92 0.00 -0.11 0.00 0.00 41.96 40.39 1ppm s TYR 75 CO 0.06 -0.81 1.96 0.78 -1.11 0.00 0.00 175.55 176.43 1ppm h GLY 76 N 0.43 0.08 0.18 0.71 0.00 -2.00 -1.93 103.07 100.53 1ppm h GLY 76 Ca -0.34 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1ppm h GLY 76 CO 0.45 0.04 0.00 2.09 0.00 0.00 0.00 176.54 179.12 1ppm n ASP 77 N -4.30 0.76 0.00 0.19 3.85 -1.26 -4.92 116.55 110.87 1ppm n ASP 77 Ca -0.02 -1.32 0.00 0.00 -0.71 0.00 0.00 54.79 52.74 1ppm n ASP 77 Cb 0.26 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 1ppm n ASP 77 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ppm n GLY 78 N 1.06 0.70 3.78 6.12 0.00 -0.73 -5.06 105.19 111.06 1ppm n GLY 78 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1ppm n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ppm s SER 79 N -2.78 4.78 0.15 1.61 1.04 -1.26 -4.79 113.70 112.46 1ppm s SER 79 Ca 0.00 1.82 -0.17 0.00 0.48 0.00 0.00 55.95 58.08 1ppm s SER 79 Cb 0.00 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.64 1ppm s SER 79 CO 0.00 -1.85 0.46 -0.94 0.98 0.00 0.00 173.24 171.89 1ppm s SER 80 N -3.29 -0.29 -0.01 7.02 1.04 -1.26 -0.91 113.70 116.01 1ppm s SER 80 Ca 0.62 -0.32 -0.28 0.00 0.48 0.00 0.00 55.95 56.45 1ppm s SER 80 Cb -0.17 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.53 1ppm s SER 80 CO 0.53 -0.92 0.63 0.00 0.98 0.00 0.00 173.24 174.45 1ppm s ALA 81 N -3.82 -1.63 0.14 5.32 0.00 -0.71 -1.66 121.76 119.40 1ppm s ALA 81 Ca 0.04 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 1ppm s ALA 81 Cb 0.01 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1ppm s ALA 81 CO -0.10 -0.44 0.39 -1.54 0.00 0.00 0.00 175.76 174.07 1ppm s SER 82 N -1.51 -0.17 0.00 0.00 1.04 -0.55 -0.47 113.70 112.03 1ppm s SER 82 Ca -0.09 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1ppm s SER 82 Cb -0.01 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1ppm s SER 82 CO 0.05 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1ppm n GLY 83 N -0.23 -0.69 3.74 7.32 0.00 -0.79 -0.15 105.19 114.41 1ppm n GLY 83 Ca -0.14 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1ppm n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppm s ASN 84 N -4.00 4.02 -0.01 1.61 4.22 -0.97 -1.96 114.94 117.86 1ppm s ASN 84 Ca 0.00 -1.66 0.03 0.00 -2.14 0.00 0.00 52.86 49.09 1ppm s ASN 84 Cb 0.00 0.52 -0.01 0.00 1.28 0.00 0.00 41.25 43.04 1ppm s ASN 84 CO 0.00 -0.86 -0.10 -0.69 -2.04 0.00 0.00 177.10 173.41 1ppm s VAL 85 N -2.90 0.80 0.16 3.54 1.01 -1.25 -1.36 120.40 120.40 1ppm s VAL 85 Ca 0.07 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1ppm s VAL 85 Cb 0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1ppm s VAL 85 CO 0.04 0.21 -0.10 -0.36 0.00 0.00 0.00 175.10 174.88 1ppm s PHE 86 N -0.28 1.37 0.03 5.22 0.40 -0.56 -0.87 117.98 123.29 1ppm s PHE 86 Ca 0.04 -0.73 0.04 0.00 -0.60 0.00 0.00 56.93 55.67 1ppm s PHE 86 Cb -0.04 -0.69 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 1ppm s PHE 86 CO -0.00 0.13 -0.06 0.95 0.70 0.00 0.00 175.22 176.93 1ppm s THR 87 N -3.26 3.65 0.32 0.64 -4.23 0.39 0.09 115.64 113.24 1ppm s THR 87 Ca 0.19 -0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 59.70 1ppm s THR 87 Cb 0.02 -2.62 0.05 0.00 1.34 0.00 0.00 72.50 71.29 1ppm s THR 87 CO 0.02 0.32 0.66 -0.67 -0.54 0.00 0.00 174.62 174.41 1ppm n ASP 88 N 1.31 -1.89 -4.72 3.99 4.64 -0.43 -1.40 116.55 118.05 1ppm n ASP 88 Ca -0.15 -2.30 -0.37 0.00 -1.38 0.00 0.00 54.79 50.59 1ppm n ASP 88 Cb 0.52 3.15 -0.07 0.00 -1.04 0.00 0.00 41.12 43.69 1ppm n ASP 88 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1ppm s SER 89 N -2.72 6.53 -0.13 1.67 1.04 -1.26 -1.56 113.70 117.27 1ppm s SER 89 Ca 0.13 0.63 0.02 0.00 0.48 0.00 0.00 55.95 57.21 1ppm s SER 89 Cb -0.04 -2.22 0.01 0.00 0.10 0.00 0.00 66.02 63.87 1ppm s SER 89 CO 0.10 0.06 -0.18 -0.69 0.98 0.00 0.00 173.24 173.51 1ppm s VAL 90 N 0.54 1.74 -0.13 5.02 1.01 -0.18 -0.72 120.40 127.68 1ppm s VAL 90 Ca 0.20 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1ppm s VAL 90 Cb -0.14 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 1ppm s VAL 90 CO 0.06 0.49 -0.18 -0.89 0.00 0.00 0.00 175.10 174.58 1ppm s THR 91 N 1.03 2.54 -0.10 3.92 2.01 0.33 -0.05 115.64 125.32 1ppm s THR 91 Ca -0.04 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 1ppm s THR 91 Cb -0.15 -2.04 0.03 0.00 0.01 0.00 0.00 72.50 70.35 1ppm s THR 91 CO -0.04 0.53 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.68 1ppm s VAL 92 N 0.52 0.86 -1.62 3.82 1.01 -0.28 -1.61 120.40 123.10 1ppm s VAL 92 Ca -0.12 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 1ppm s VAL 92 Cb -0.16 -0.91 0.12 0.00 0.00 0.00 0.00 36.38 35.42 1ppm s VAL 92 CO 0.04 0.33 0.80 0.61 0.00 0.00 0.00 175.10 176.88 1ppm n GLY 93 N 5.00 -0.43 2.24 4.51 0.00 -1.26 -1.14 105.19 114.10 1ppm n GLY 93 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ppm n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppm n GLY 94 N -1.55 0.42 3.53 -0.02 0.00 -1.26 -3.45 105.19 102.86 1ppm n GLY 94 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1ppm n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ppm s VAL 95 N -1.88 4.69 -0.19 1.61 1.01 -0.29 -5.00 120.40 120.35 1ppm s VAL 95 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1ppm s VAL 95 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1ppm s VAL 95 CO 0.00 0.34 0.06 -0.89 0.00 0.00 0.00 175.10 174.61 1ppm s THR 96 N 1.40 4.66 -0.25 3.92 2.01 -1.26 -1.12 115.64 125.01 1ppm s THR 96 Ca 0.06 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 1ppm s THR 96 Cb -0.15 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1ppm s THR 96 CO 0.05 0.44 0.10 0.00 -0.69 0.00 0.00 174.62 174.52 1ppm s ALA 97 N 0.55 3.30 -0.06 7.40 0.00 0.93 -4.96 121.76 128.92 1ppm s ALA 97 Ca 0.03 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 1ppm s ALA 97 Cb -0.13 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 1ppm s ALA 97 CO 0.01 -0.38 0.29 -1.01 0.00 0.00 0.00 175.76 174.67 1ppm s HIS 98 N 1.43 3.66 -1.13 0.00 0.09 -1.26 -1.01 115.29 117.06 1ppm s HIS 98 Ca 0.06 0.78 0.00 0.00 -0.00 0.00 0.00 55.06 55.90 1ppm s HIS 98 Cb -0.15 -2.15 0.00 0.00 -0.00 0.00 0.00 32.58 30.28 1ppm s HIS 98 CO 0.05 0.66 0.00 0.41 -0.00 0.00 0.00 174.74 175.86 1ppm n GLY 99 N 1.97 0.36 3.75 -2.22 0.00 -1.10 -4.99 105.19 102.96 1ppm n GLY 99 Ca -0.16 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1ppm n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ppm s GLN 100 N -4.07 4.56 0.05 1.61 2.00 -0.60 -4.68 119.66 118.52 1ppm s GLN 100 Ca 0.00 1.83 -0.31 0.00 -2.00 0.00 0.00 55.36 54.88 1ppm s GLN 100 Cb 0.00 -3.23 -0.06 0.00 0.80 0.00 0.00 33.01 30.53 1ppm s GLN 100 CO 0.00 0.05 1.29 0.00 -0.50 0.00 0.00 175.29 176.13 1ppm s ALA 101 N -0.51 3.49 -0.18 1.58 0.00 -1.26 -1.31 121.76 123.57 1ppm s ALA 101 Ca 0.49 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.35 1ppm s ALA 101 Cb -0.32 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.31 1ppm s ALA 101 CO 0.38 -0.62 -0.19 0.08 0.00 0.00 0.00 175.76 175.41 1ppm s VAL 102 N 1.51 2.18 -0.53 0.00 1.01 0.11 -4.73 120.40 119.95 1ppm s VAL 102 Ca 0.61 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 1ppm s VAL 102 Cb -0.31 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.22 1ppm s VAL 102 CO 0.28 0.53 0.66 -1.10 0.00 0.00 0.00 175.10 175.47 1ppm s GLN 103 N 1.27 3.11 -0.16 2.72 -0.21 -0.14 -1.50 119.66 124.76 1ppm s GLN 103 Ca 0.04 -0.97 -0.29 0.00 0.02 0.00 0.00 55.36 54.17 1ppm s GLN 103 Cb -0.13 -4.14 -0.00 0.00 1.00 0.00 0.00 33.01 29.73 1ppm s GLN 103 CO -0.11 -1.32 0.99 0.00 -2.12 0.00 0.00 175.29 172.73 1ppm s ALA 104 N 2.72 3.52 0.18 6.09 0.00 -0.46 -1.04 121.76 132.77 1ppm s ALA 104 Ca 0.15 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1ppm s ALA 104 Cb -0.20 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 1ppm s ALA 104 CO 0.11 -0.76 1.17 0.00 0.00 0.00 0.00 175.76 176.27 1ppm s ALA 105 N 2.43 3.42 -0.08 0.00 0.00 -0.01 -2.29 121.76 125.22 1ppm s ALA 105 Ca 0.45 0.91 0.08 0.00 0.00 0.00 0.00 51.96 53.41 1ppm s ALA 105 Cb -0.17 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 1ppm s ALA 105 CO 0.13 -0.32 0.05 1.04 0.00 0.00 0.00 175.76 176.66 1ppm n GLN 106 N 2.46 2.29 -3.88 0.00 6.02 0.79 -3.89 117.38 121.17 1ppm n GLN 106 Ca 0.04 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.90 1ppm n GLN 106 Cb 0.45 -1.24 -0.12 0.00 1.02 0.00 0.00 30.24 30.35 1ppm n GLN 106 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1ppm s GLN 107 N -2.27 0.19 -0.01 -1.09 -1.52 -0.87 -4.64 119.66 109.46 1ppm s GLN 107 Ca -0.04 -0.13 -0.03 0.00 -1.95 0.00 0.00 55.36 53.21 1ppm s GLN 107 Cb 0.03 0.08 0.00 0.00 -0.22 0.00 0.00 33.01 32.90 1ppm s GLN 107 CO 0.38 -0.03 0.07 0.96 -0.25 0.00 0.00 175.29 176.42 1ppm s ILE 108 N -0.50 0.04 0.79 1.08 -4.36 -1.26 -1.49 121.20 115.51 1ppm s ILE 108 Ca -0.06 -0.36 -0.12 0.00 -0.26 0.00 0.00 60.65 59.86 1ppm s ILE 108 Cb -0.04 -0.22 0.07 0.00 1.25 0.00 0.00 42.46 43.52 1ppm s ILE 108 CO 0.00 -0.20 1.16 -0.94 0.24 0.00 0.00 174.94 175.21 1ppm s SER 109 N -0.61 4.62 0.35 4.36 1.04 -0.66 -4.80 113.70 118.01 1ppm s SER 109 Ca -0.07 0.80 0.10 0.00 0.48 0.00 0.00 55.95 57.26 1ppm s SER 109 Cb -0.04 -1.33 0.85 0.00 0.10 0.00 0.00 66.02 65.60 1ppm s SER 109 CO 0.00 -1.83 1.84 0.00 0.98 0.00 0.00 173.24 174.23 1ppm h ALA 110 N -0.99 1.88 -0.90 5.32 0.00 -1.98 -1.97 119.26 120.62 1ppm h ALA 110 Ca -0.46 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.61 1ppm h ALA 110 Cb 1.32 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1ppm h ALA 110 CO 0.65 -0.17 0.53 0.37 0.00 0.00 0.00 179.25 180.64 1ppm h GLN 111 N 0.65 0.80 -0.07 0.00 4.15 -1.95 -0.51 115.11 118.19 1ppm h GLN 111 Ca 0.49 -0.05 -0.23 0.00 0.77 0.00 0.00 58.65 59.64 1ppm h GLN 111 Cb 0.88 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 28.40 1ppm h GLN 111 CO -0.25 0.53 -0.88 0.74 -1.93 0.00 0.00 178.83 177.05 1ppm h PHE 112 N 0.83 0.89 -0.38 3.99 0.05 -1.73 -2.88 116.94 117.70 1ppm h PHE 112 Ca 0.46 -0.43 -0.05 0.00 3.82 0.00 0.00 57.97 61.77 1ppm h PHE 112 Cb 0.50 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.31 1ppm h PHE 112 CO -0.04 1.25 0.04 1.96 -0.18 0.00 0.00 178.31 181.34 1ppm h GLN 113 N 0.40 0.58 0.00 1.51 4.20 -0.86 -2.74 115.11 118.20 1ppm h GLN 113 Ca -0.08 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 1ppm h GLN 113 Cb 1.50 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.19 1ppm h GLN 113 CO 0.17 0.58 -0.18 1.96 -0.67 0.00 0.00 178.83 180.68 1ppm h GLN 114 N 0.56 0.00 -5.42 1.46 4.20 -1.07 -3.43 115.11 111.41 1ppm h GLN 114 Ca 0.12 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.19 1ppm h GLN 114 Cb 0.30 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.93 1ppm h GLN 114 CO 0.01 0.18 0.42 0.34 -0.67 0.00 0.00 178.83 179.11 1ppm s ASP 115 N -6.26 6.24 0.00 1.46 -1.08 -1.04 -4.88 116.67 111.11 1ppm s ASP 115 Ca 0.05 -0.81 0.11 0.00 -0.52 0.00 0.00 52.55 51.39 1ppm s ASP 115 Cb 0.06 -2.39 0.32 0.00 -1.46 0.00 0.00 42.92 39.46 1ppm s ASP 115 CO 0.68 -1.24 1.27 0.35 0.52 0.00 0.00 175.17 176.75 1ppm n THR 116 N 5.92 0.48 0.09 1.71 -2.24 -1.26 -4.04 114.28 114.93 1ppm n THR 116 Ca -0.03 -0.48 -0.01 0.00 -2.27 0.00 0.00 64.05 61.26 1ppm n THR 116 Cb 0.46 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 1ppm n THR 116 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1ppm h ASN 117 N 2.11 0.00 -3.37 3.42 2.35 -1.89 -3.46 115.58 114.74 1ppm h ASN 117 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1ppm h ASN 117 Cb 0.48 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.69 1ppm h ASN 117 CO 0.00 0.67 -0.77 0.54 -1.65 0.00 0.00 177.43 176.23 1ppm s ASN 118 N -6.35 2.70 -0.13 5.81 2.20 -1.26 -4.92 114.94 113.00 1ppm s ASN 118 Ca 0.01 -0.92 0.15 0.00 -0.94 0.00 0.00 52.86 51.17 1ppm s ASN 118 Cb 0.08 -0.16 0.42 0.00 -2.00 0.00 0.00 41.25 39.59 1ppm s ASN 118 CO 0.78 -0.07 1.32 0.47 -2.94 0.00 0.00 177.10 176.66 1ppm n ASP 119 N 0.04 3.32 0.00 3.54 8.00 0.19 -4.98 116.55 126.65 1ppm n ASP 119 Ca -0.11 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.56 1ppm n ASP 119 Cb 0.58 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1ppm n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ppm n GLY 120 N -0.55 0.85 3.26 0.44 0.00 -1.26 -1.28 105.19 106.65 1ppm n GLY 120 Ca 0.18 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.93 1ppm n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ppm s LEU 121 N 0.00 2.21 -0.28 0.99 1.02 -0.49 -0.99 118.68 121.15 1ppm s LEU 121 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 54.13 53.57 1ppm s LEU 121 Cb 0.00 -0.95 0.05 0.00 0.02 0.00 0.00 46.19 45.32 1ppm s LEU 121 CO 0.00 0.13 -0.05 -0.22 0.02 0.00 0.00 176.35 176.22 1ppm s LEU 122 N -1.44 3.63 0.16 1.79 0.20 -0.64 -1.36 118.68 121.02 1ppm s LEU 122 Ca 0.07 -1.28 -0.29 0.00 0.69 0.00 0.00 54.13 53.33 1ppm s LEU 122 Cb -0.09 -1.64 -0.07 0.00 -0.43 0.00 0.00 46.19 43.95 1ppm s LEU 122 CO 0.03 -0.22 0.90 -0.83 -0.29 0.00 0.00 176.35 175.94 1ppm s GLY 123 N 1.20 3.01 -0.06 7.98 0.00 -0.72 -0.70 107.32 118.03 1ppm s GLY 123 Ca -0.06 0.52 0.08 0.00 0.00 0.00 0.00 44.72 45.26 1ppm s GLY 123 CO -0.03 1.21 1.01 1.04 0.00 0.00 0.00 173.10 176.33 1ppm n LEU 124 N 2.10 1.57 0.00 0.66 4.77 0.21 -4.41 117.00 121.90 1ppm n LEU 124 Ca -0.01 -2.07 -0.19 0.00 -0.03 0.00 0.00 56.01 53.71 1ppm n LEU 124 Cb 0.48 -0.19 0.14 0.00 -2.33 0.00 0.00 43.42 41.53 1ppm n LEU 124 CO 0.49 0.49 0.56 0.00 -1.33 0.00 0.00 177.39 177.60 1ppm n ALA 125 N -0.76 -1.12 -1.78 -1.18 0.00 -0.48 -4.77 120.51 110.43 1ppm n ALA 125 Ca 0.07 -1.13 -0.37 0.00 0.00 0.00 0.00 53.44 52.01 1ppm n ALA 125 Cb 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1ppm n ALA 125 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ppm s PHE 126 N -2.85 3.16 0.38 0.00 0.40 -0.50 -4.77 117.98 113.79 1ppm s PHE 126 Ca 0.49 1.61 0.39 0.00 -0.60 0.00 0.00 56.93 58.82 1ppm s PHE 126 Cb -0.02 -3.21 1.97 0.00 0.51 0.00 0.00 43.02 42.28 1ppm s PHE 126 CO 0.35 -0.88 2.17 0.77 0.70 0.00 0.00 175.22 178.33 1ppm h SER 127 N 2.41 0.00 -0.20 1.36 0.02 -1.89 -2.95 113.55 112.29 1ppm h SER 127 Ca -0.49 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.52 1ppm h SER 127 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1ppm h SER 127 CO 0.62 0.00 0.29 0.77 -1.14 0.00 0.00 176.83 177.37 1ppm h SER 128 N 0.00 0.00 -0.41 3.07 4.64 -1.91 -1.09 113.55 117.85 1ppm h SER 128 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ppm h SER 128 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1ppm h SER 128 CO 0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 1ppm n ILE 129 N -3.54 2.14 -2.17 0.95 -5.35 -1.12 -4.97 119.36 105.30 1ppm n ILE 129 Ca 0.02 -1.53 -0.41 0.00 -0.27 0.00 0.00 62.75 60.56 1ppm n ILE 129 Cb 0.41 -0.09 -0.03 0.00 -1.74 0.00 0.00 39.64 38.20 1ppm n ILE 129 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1ppm s ASN 130 N -1.37 6.85 0.00 7.28 3.84 -0.41 -4.56 114.94 126.57 1ppm s ASN 130 Ca 0.44 2.54 0.29 0.00 0.21 0.00 0.00 52.86 56.34 1ppm s ASN 130 Cb 0.33 -2.63 1.24 0.00 -0.55 0.00 0.00 41.25 39.64 1ppm s ASN 130 CO 0.14 -0.52 1.86 0.35 -2.79 0.00 0.00 177.10 176.14 1ppm n THR 131 N 1.74 0.00 -1.73 -5.21 -2.24 -1.26 -4.77 114.28 100.81 1ppm n THR 131 Ca 0.03 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 1ppm n THR 131 Cb 0.42 0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1ppm n THR 131 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ppm n VAL 132 N -0.59 1.36 -4.68 2.28 0.31 -1.26 -4.37 118.33 111.38 1ppm n VAL 132 Ca 0.17 -0.34 -0.25 0.00 -0.01 0.00 0.00 64.34 63.91 1ppm n VAL 132 Cb 0.28 -1.84 -0.14 0.00 -0.91 0.00 0.00 33.84 31.23 1ppm n VAL 132 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1ppm s GLN 133 N -1.04 1.37 0.01 5.55 -1.52 0.31 -3.00 119.66 121.35 1ppm s GLN 133 Ca 0.61 -0.85 0.27 0.00 -1.95 0.00 0.00 55.36 53.44 1ppm s GLN 133 Cb -0.53 -1.44 0.91 0.00 -0.22 0.00 0.00 33.01 31.74 1ppm s GLN 133 CO 0.54 0.37 1.70 -0.35 -0.25 0.00 0.00 175.29 177.31 1ppm n PRO 134 N 2.05 0.01 -4.46 2.91 -0.04 -1.26 -1.45 135.00 132.76 1ppm n PRO 134 Ca -0.17 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 1ppm n PRO 134 Cb 0.53 -1.51 -0.17 0.00 -0.04 0.00 0.00 33.50 32.32 1ppm n PRO 134 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ppm s GLN 135 N -3.00 2.23 0.69 0.54 -0.21 -1.26 -5.13 119.66 113.51 1ppm s GLN 135 Ca 0.13 -0.56 -0.15 0.00 0.02 0.00 0.00 55.36 54.79 1ppm s GLN 135 Cb 0.18 -1.89 0.02 0.00 1.00 0.00 0.00 33.01 32.31 1ppm s GLN 135 CO 0.60 -0.06 1.16 -1.54 -2.12 0.00 0.00 175.29 173.33 1ppm s SER 136 N 0.99 4.67 0.41 5.90 1.04 -1.16 -4.75 113.70 120.79 1ppm s SER 136 Ca -0.06 2.18 0.08 0.00 0.48 0.00 0.00 55.95 58.62 1ppm s SER 136 Cb -0.15 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 1ppm s SER 136 CO -0.02 -1.93 0.24 -1.10 0.98 0.00 0.00 173.24 171.41 1ppm s GLN 137 N -3.98 2.34 0.11 4.02 -1.52 -1.26 -5.00 119.66 114.38 1ppm s GLN 137 Ca 0.71 -1.71 -0.07 0.00 -1.95 0.00 0.00 55.36 52.33 1ppm s GLN 137 Cb -0.25 -2.13 -0.06 0.00 -0.22 0.00 0.00 33.01 30.36 1ppm s GLN 137 CO 0.43 -0.12 0.39 0.95 -0.25 0.00 0.00 175.29 176.69 1ppm s THR 138 N -2.54 5.13 0.81 -0.19 -4.23 -1.26 -4.71 115.64 108.65 1ppm s THR 138 Ca 0.43 0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 61.07 1ppm s THR 138 Cb 0.01 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.31 1ppm s THR 138 CO 0.24 0.15 1.12 0.42 -0.54 0.00 0.00 174.62 176.01 1ppm s THR 139 N -1.54 2.80 0.24 3.99 -4.23 -1.26 -4.64 115.64 110.99 1ppm s THR 139 Ca 0.37 0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 61.10 1ppm s THR 139 Cb -0.13 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 71.33 1ppm s THR 139 CO 0.21 -0.33 1.70 0.15 -0.54 0.00 0.00 174.62 175.82 1ppm h PHE 140 N -1.27 0.33 -0.30 3.99 3.57 -1.94 0.48 116.94 121.80 1ppm h PHE 140 Ca -0.44 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 1ppm h PHE 140 Cb 1.25 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1ppm h PHE 140 CO 0.54 -0.03 0.12 0.35 -2.23 0.00 0.00 178.31 177.06 1ppm h PHE 141 N 0.32 0.46 -0.25 0.41 3.04 -1.91 -2.00 116.94 117.00 1ppm h PHE 141 Ca 0.40 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.28 1ppm h PHE 141 Cb 0.64 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 1ppm h PHE 141 CO -0.23 0.45 0.01 -0.44 -2.02 0.00 0.00 178.31 176.08 1ppm h ASP 142 N 0.34 0.34 -0.44 0.41 3.45 -1.77 0.16 116.42 118.90 1ppm h ASP 142 Ca 0.10 -0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.45 1ppm h ASP 142 Cb 0.19 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 1ppm h ASP 142 CO -0.01 0.39 0.03 0.74 -1.57 0.00 0.00 179.24 178.83 1ppm h THR 143 N 0.37 1.25 0.00 0.35 2.02 -0.47 -3.31 112.91 113.13 1ppm h THR 143 Ca 0.08 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1ppm h THR 143 Cb 0.23 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1ppm h THR 143 CO 0.00 0.34 -0.85 1.33 0.37 0.00 0.00 175.52 176.71 1ppm n VAL 144 N -4.43 0.02 -0.28 3.16 0.24 -0.79 -4.66 118.33 111.58 1ppm n VAL 144 Ca 0.00 -0.04 0.10 0.00 -2.04 0.00 0.00 64.34 62.36 1ppm n VAL 144 Cb 0.27 0.64 0.24 0.00 -1.47 0.00 0.00 33.84 33.52 1ppm n VAL 144 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1ppm h LYS 145 N 0.00 0.19 0.00 7.34 3.64 -1.05 -0.15 116.57 126.53 1ppm h LYS 145 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ppm h LYS 145 Cb 0.53 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ppm h LYS 145 CO 0.00 0.13 0.00 0.66 -2.27 0.00 0.00 179.45 177.97 1ppm h SER 146 N 0.20 0.00 0.81 4.20 4.64 -1.83 -2.61 113.55 118.96 1ppm h SER 146 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1ppm h SER 146 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1ppm h SER 146 CO -0.64 0.00 -0.87 -1.20 -0.87 0.00 0.00 176.83 173.26 1ppm n SER 147 N -2.86 0.73 -4.80 4.97 7.64 -0.08 -4.93 113.62 114.28 1ppm n SER 147 Ca 0.01 0.13 -0.33 0.00 1.01 0.00 0.00 58.87 59.69 1ppm n SER 147 Cb 0.26 0.42 0.01 0.00 -1.01 0.00 0.00 64.21 63.89 1ppm n SER 147 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ppm s LEU 148 N -4.59 3.51 0.17 -3.43 1.43 -0.98 -1.01 118.68 113.78 1ppm s LEU 148 Ca 0.03 1.81 -0.15 0.00 -1.03 0.00 0.00 54.13 54.79 1ppm s LEU 148 Cb 0.12 -4.53 0.07 0.00 0.03 0.00 0.00 46.19 41.88 1ppm s LEU 148 CO 0.77 -1.14 1.81 0.00 0.23 0.00 0.00 176.35 178.01 1ppm h ALA 149 N 0.47 0.58 -3.83 4.21 0.00 -1.29 -3.42 119.26 115.99 1ppm h ALA 149 Ca -0.47 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 53.97 1ppm h ALA 149 Cb 1.22 -0.13 -0.25 0.00 0.00 0.00 0.00 17.79 18.63 1ppm h ALA 149 CO 0.58 -0.04 -0.80 -0.65 0.00 0.00 0.00 179.25 178.33 1ppm s GLN 150 N -6.15 1.01 -1.40 0.00 -0.21 -1.07 -5.06 119.66 106.78 1ppm s GLN 150 Ca -0.13 -0.76 -0.10 0.00 0.02 0.00 0.00 55.36 54.40 1ppm s GLN 150 Cb 0.12 -1.03 0.08 0.00 1.00 0.00 0.00 33.01 33.18 1ppm s GLN 150 CO 0.73 0.26 2.27 -0.35 -2.12 0.00 0.00 175.29 176.08 1ppm n PRO 151 N 1.97 3.64 -3.91 2.91 -0.04 -1.26 -4.16 135.00 134.15 1ppm n PRO 151 Ca -0.18 -3.04 -0.10 0.00 -0.04 0.00 0.00 63.50 60.15 1ppm n PRO 151 Cb 0.55 -2.94 -0.06 0.00 -0.04 0.00 0.00 33.50 31.01 1ppm n PRO 151 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1ppm s LEU 152 N 0.10 0.72 0.04 1.53 0.05 -1.26 -1.72 118.68 118.14 1ppm s LEU 152 Ca 0.50 -0.78 -0.01 0.00 0.05 0.00 0.00 54.13 53.90 1ppm s LEU 152 Cb 0.14 1.44 -0.03 0.00 -2.05 0.00 0.00 46.19 45.69 1ppm s LEU 152 CO -0.05 -0.94 -0.03 0.72 -0.55 0.00 0.00 176.35 175.49 1ppm s PHE 153 N -3.95 0.46 0.06 3.48 -0.71 -0.77 -0.45 117.98 116.10 1ppm s PHE 153 Ca 0.15 -0.88 0.02 0.00 -1.04 0.00 0.00 56.93 55.18 1ppm s PHE 153 Cb 0.02 -0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 41.47 1ppm s PHE 153 CO -0.00 -0.30 -0.07 0.00 -1.34 0.00 0.00 175.22 173.51 1ppm s ALA 154 N -3.09 0.63 -0.00 1.99 0.00 0.06 -0.47 121.76 120.88 1ppm s ALA 154 Ca -0.00 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1ppm s ALA 154 Cb 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 1ppm s ALA 154 CO -0.07 -0.12 -0.06 0.54 0.00 0.00 0.00 175.76 176.06 1ppm s VAL 155 N -2.17 0.46 -0.27 0.00 0.11 -0.03 -0.34 120.40 118.15 1ppm s VAL 155 Ca -0.04 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1ppm s VAL 155 Cb -0.05 -0.39 0.08 0.00 -1.53 0.00 0.00 36.38 34.50 1ppm s VAL 155 CO -0.02 0.13 0.03 0.00 -3.33 0.00 0.00 175.10 171.92 1ppm s ALA 156 N -0.14 1.77 -0.12 1.54 0.00 -0.70 -2.00 121.76 122.11 1ppm s ALA 156 Ca 0.02 -1.54 -0.09 0.00 0.00 0.00 0.00 51.96 50.36 1ppm s ALA 156 Cb -0.02 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1ppm s ALA 156 CO -0.00 -1.44 0.17 -0.51 0.00 0.00 0.00 175.76 173.98 1ppm s LEU 157 N 1.49 4.37 0.28 0.00 1.43 -1.26 -1.66 118.68 123.33 1ppm s LEU 157 Ca 0.03 0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.68 1ppm s LEU 157 Cb -0.18 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.84 1ppm s LEU 157 CO -0.14 0.35 -0.04 -0.54 0.23 0.00 0.00 176.35 176.21 1ppm s LYS 158 N -0.75 1.56 -0.40 1.70 1.02 -1.26 -4.09 119.74 117.51 1ppm s LYS 158 Ca 0.15 -1.80 -0.24 0.00 0.02 0.00 0.00 55.97 54.10 1ppm s LYS 158 Cb -0.12 -1.10 0.02 0.00 -0.52 0.00 0.00 37.83 36.10 1ppm s LYS 158 CO 0.04 0.00 0.84 -1.58 -0.92 0.00 0.00 175.35 173.73 1ppm s HIS 159 N -3.06 3.04 -1.52 3.18 5.65 -1.26 -4.33 115.29 116.99 1ppm s HIS 159 Ca 0.30 0.48 -0.09 0.00 0.25 0.00 0.00 55.06 56.01 1ppm s HIS 159 Cb 0.05 -3.63 0.07 0.00 -1.18 0.00 0.00 32.58 27.88 1ppm s HIS 159 CO 0.12 -0.89 0.66 1.04 -0.65 0.00 0.00 174.74 175.02 1ppm n GLN 160 N 6.72 -3.74 -3.65 2.88 1.13 -1.26 -4.96 117.38 114.50 1ppm n GLN 160 Ca 0.04 0.44 -0.13 0.00 -1.94 0.00 0.00 57.00 55.41 1ppm n GLN 160 Cb 0.48 -4.93 -0.06 0.00 0.11 0.00 0.00 30.24 25.84 1ppm n GLN 160 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1ppm s GLN 161 N -6.65 0.92 0.54 -1.09 -0.21 -1.26 -5.07 119.66 106.84 1ppm s GLN 161 Ca 0.36 -0.30 -0.20 0.00 0.02 0.00 0.00 55.36 55.25 1ppm s GLN 161 Cb -0.19 0.41 -0.05 0.00 1.00 0.00 0.00 33.01 34.18 1ppm s GLN 161 CO 0.89 -0.31 1.18 -2.14 -2.12 0.00 0.00 175.29 172.79 1ppm s PRO 162 N -2.29 3.31 0.00 2.91 0.02 -1.26 -4.36 135.00 133.33 1ppm s PRO 162 Ca -0.06 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1ppm s PRO 162 Cb -0.01 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1ppm s PRO 162 CO -0.01 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 1ppm n GLY 163 N 0.39 4.73 3.09 0.52 0.00 -0.28 -4.79 105.19 108.84 1ppm n GLY 163 Ca 0.11 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 1ppm n GLY 163 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ppm s VAL 164 N -1.23 0.28 -0.25 1.61 -7.23 -0.66 -1.43 120.40 111.48 1ppm s VAL 164 Ca 0.00 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 1ppm s VAL 164 Cb 0.00 -1.36 0.02 0.00 0.56 0.00 0.00 36.38 35.60 1ppm s VAL 164 CO 0.00 -0.91 -0.04 -0.31 -0.31 0.00 0.00 175.10 173.53 1ppm s TYR 165 N -3.51 3.06 -0.21 2.82 1.51 0.03 -1.73 117.35 119.32 1ppm s TYR 165 Ca 0.04 -1.43 -0.13 0.00 -1.01 0.00 0.00 57.07 54.55 1ppm s TYR 165 Cb 0.05 -2.09 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 1ppm s TYR 165 CO -0.08 -0.70 0.25 -0.51 -1.11 0.00 0.00 175.55 173.40 1ppm s ASP 166 N 1.36 6.28 -0.17 2.29 -0.00 0.53 -1.04 116.67 125.93 1ppm s ASP 166 Ca 0.01 0.31 -0.05 0.00 -0.00 0.00 0.00 52.55 52.83 1ppm s ASP 166 Cb -0.16 -2.15 -0.03 0.00 -0.00 0.00 0.00 42.92 40.57 1ppm s ASP 166 CO -0.04 0.05 -0.01 -0.36 -0.00 0.00 0.00 175.17 174.81 1ppm s PHE 167 N 0.92 3.07 0.00 4.23 0.40 0.11 -0.76 117.98 125.95 1ppm s PHE 167 Ca 0.12 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1ppm s PHE 167 Cb -0.13 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.40 1ppm s PHE 167 CO 0.04 -0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.34 1ppm n GLY 168 N 3.64 0.77 3.55 4.36 0.00 0.40 -1.72 105.19 116.19 1ppm n GLY 168 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1ppm n GLY 168 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ppm s PHE 169 N -3.02 -0.41 -0.14 1.61 -0.71 -1.26 -2.60 117.98 111.44 1ppm s PHE 169 Ca 0.00 0.15 -0.02 0.00 -1.04 0.00 0.00 56.93 56.01 1ppm s PHE 169 Cb 0.00 0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1ppm s PHE 169 CO 0.00 -0.90 -0.06 0.42 -1.34 0.00 0.00 175.22 173.34 1ppm s ILE 170 N -3.68 3.67 -0.53 -4.49 1.01 -1.26 -4.64 121.20 111.27 1ppm s ILE 170 Ca 0.04 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 1ppm s ILE 170 Cb -0.02 -2.58 0.13 0.00 0.01 0.00 0.00 42.46 39.99 1ppm s ILE 170 CO -0.07 0.51 0.47 -0.62 0.00 0.00 0.00 174.94 175.23 1ppm s ASP 171 N 0.27 6.10 0.48 3.58 3.68 -1.26 -4.93 116.67 124.59 1ppm s ASP 171 Ca -0.05 -1.84 0.33 0.00 2.13 0.00 0.00 52.55 53.12 1ppm s ASP 171 Cb -0.14 -2.17 1.63 0.00 -1.45 0.00 0.00 42.92 40.79 1ppm s ASP 171 CO 0.04 -0.82 1.99 0.28 0.13 0.00 0.00 175.17 176.79 1ppm h SER 172 N 8.77 0.00 0.66 -0.34 0.02 -1.98 -2.05 113.55 118.63 1ppm h SER 172 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ppm h SER 172 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1ppm h SER 172 CO 0.99 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 175.14 1ppm n SER 173 N -2.72 0.00 -0.12 3.07 3.41 -1.26 -3.61 113.62 112.38 1ppm n SER 173 Ca -0.01 0.24 0.13 0.00 -0.26 0.00 0.00 58.87 58.97 1ppm n SER 173 Cb 0.14 -0.40 0.37 0.00 -0.26 0.00 0.00 64.21 64.06 1ppm n SER 173 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ppm n LYS 174 N -1.40 0.46 -4.13 4.33 4.76 -0.77 -4.75 118.16 116.65 1ppm n LYS 174 Ca 0.08 -0.25 -0.10 0.00 -2.87 0.00 0.00 58.31 55.18 1ppm n LYS 174 Cb 0.24 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.84 1ppm n LYS 174 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1ppm s TYR 175 N -2.71 0.82 -0.07 2.13 1.13 -1.24 -0.89 117.35 116.53 1ppm s TYR 175 Ca 0.19 -1.18 -0.04 0.00 -1.41 0.00 0.00 57.07 54.63 1ppm s TYR 175 Cb 0.19 -0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 40.58 1ppm s TYR 175 CO 0.58 -0.56 0.13 0.99 -2.51 0.00 0.00 175.55 174.18 1ppm s THR 176 N -4.05 5.22 0.00 -3.49 2.01 -0.59 -4.66 115.64 110.08 1ppm s THR 176 Ca 0.25 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1ppm s THR 176 Cb 0.07 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1ppm s THR 176 CO 0.03 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 1ppm n GLY 177 N 1.58 -0.24 3.66 4.40 0.00 -1.26 -4.35 105.19 108.97 1ppm n GLY 177 Ca -0.16 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 1ppm n GLY 177 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ppm s SER 178 N -4.00 4.68 0.48 1.61 0.01 -1.26 -5.08 113.70 110.14 1ppm s SER 178 Ca 0.00 -0.51 -0.20 0.00 1.31 0.00 0.00 55.95 56.55 1ppm s SER 178 Cb 0.00 -0.94 -0.09 0.00 0.21 0.00 0.00 66.02 65.20 1ppm s SER 178 CO 0.00 0.04 1.00 -0.76 0.41 0.00 0.00 173.24 173.93 1ppm s LEU 179 N -3.33 3.82 -0.11 2.44 1.43 -1.26 -4.75 118.68 116.91 1ppm s LEU 179 Ca 0.29 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 55.19 1ppm s LEU 179 Cb -0.08 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.58 1ppm s LEU 179 CO 0.19 -0.63 -0.16 -0.89 0.23 0.00 0.00 176.35 175.09 1ppm s THR 180 N -2.19 2.82 0.10 5.49 2.01 -0.29 -4.90 115.64 118.69 1ppm s THR 180 Ca 0.64 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.92 1ppm s THR 180 Cb -0.13 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1ppm s THR 180 CO 0.20 0.54 0.07 -0.31 -0.69 0.00 0.00 174.62 174.44 1ppm s TYR 181 N 0.12 3.13 0.03 4.92 1.51 -1.26 -0.80 117.35 125.00 1ppm s TYR 181 Ca -0.08 0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 1ppm s TYR 181 Cb -0.15 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1ppm s TYR 181 CO 0.05 0.51 -0.05 -0.08 -1.11 0.00 0.00 175.55 174.87 1ppm s THR 182 N -1.44 0.35 0.44 -0.71 -1.32 -0.20 -4.89 115.64 107.87 1ppm s THR 182 Ca 0.29 -0.88 -0.22 0.00 -1.21 0.00 0.00 61.69 59.66 1ppm s THR 182 Cb -0.12 -0.43 -0.09 0.00 -1.51 0.00 0.00 72.50 70.36 1ppm s THR 182 CO 0.21 -0.36 1.04 -0.83 -2.21 0.00 0.00 174.62 172.48 1ppm s GLY 183 N -1.32 2.62 -0.11 6.08 0.00 -1.26 -1.56 107.32 111.78 1ppm s GLY 183 Ca -0.10 0.65 -0.03 0.00 0.00 0.00 0.00 44.72 45.24 1ppm s GLY 183 CO -0.00 1.03 -0.01 0.14 0.00 0.00 0.00 173.10 174.26 1ppm s VAL 184 N -1.82 4.23 -0.41 1.40 1.01 -0.75 -4.58 120.40 119.49 1ppm s VAL 184 Ca 0.62 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 1ppm s VAL 184 Cb -0.19 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.43 1ppm s VAL 184 CO 0.24 0.57 0.27 -0.62 0.00 0.00 0.00 175.10 175.55 1ppm s ASP 185 N -0.50 5.83 -0.17 3.32 3.68 -0.40 -4.51 116.67 123.91 1ppm s ASP 185 Ca 0.09 -1.19 0.16 0.00 2.13 0.00 0.00 52.55 53.74 1ppm s ASP 185 Cb -0.12 -2.06 0.77 0.00 -1.45 0.00 0.00 42.92 40.06 1ppm s ASP 185 CO 0.02 -0.49 1.69 -0.46 0.13 0.00 0.00 175.17 176.06 1ppm n ASN 186 N 5.03 5.24 0.30 -0.34 0.23 -1.26 -3.55 115.26 120.91 1ppm n ASN 186 Ca -0.11 -2.68 0.20 0.00 -0.53 0.00 0.00 54.58 51.46 1ppm n ASN 186 Cb 0.45 -0.63 0.96 0.00 -2.08 0.00 0.00 39.78 38.47 1ppm n ASN 186 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1ppm h SER 187 N 4.06 0.00 -0.31 0.53 4.64 -1.92 -1.05 113.55 119.50 1ppm h SER 187 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ppm h SER 187 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1ppm h SER 187 CO 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 1ppm n GLN 188 N -2.98 2.89 -0.87 4.77 1.13 -1.26 -4.96 117.38 116.10 1ppm n GLN 188 Ca -0.01 -2.33 0.00 0.00 -1.94 0.00 0.00 57.00 52.72 1ppm n GLN 188 Cb 0.16 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.03 1ppm n GLN 188 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ppm n GLY 189 N 0.12 0.66 3.89 1.08 0.00 -0.40 -4.92 105.19 105.63 1ppm n GLY 189 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1ppm n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ppm s PHE 190 N -2.48 2.80 -1.24 1.61 0.08 -1.26 -1.41 117.98 116.08 1ppm s PHE 190 Ca 0.00 -0.41 -0.14 0.00 0.12 0.00 0.00 56.93 56.50 1ppm s PHE 190 Cb 0.00 -2.07 0.15 0.00 -0.57 0.00 0.00 43.02 40.53 1ppm s PHE 190 CO 0.00 -0.05 1.56 0.91 -0.10 0.00 0.00 175.22 177.54 1ppm n TRP 191 N -1.53 4.60 -3.58 0.36 7.02 -1.26 -4.23 117.44 118.81 1ppm n TRP 191 Ca 0.02 -3.20 -0.38 0.00 -1.02 0.00 0.00 57.50 52.93 1ppm n TRP 191 Cb 0.61 -2.22 -0.06 0.00 -2.42 0.00 0.00 31.31 27.22 1ppm n TRP 191 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1ppm s SER 192 N 2.71 6.72 0.21 -0.99 0.15 -1.23 -1.72 113.70 119.55 1ppm s SER 192 Ca 0.44 0.86 -0.06 0.00 0.70 0.00 0.00 55.95 57.89 1ppm s SER 192 Cb 0.00 -2.21 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1ppm s SER 192 CO 0.01 0.34 0.26 0.72 1.20 0.00 0.00 173.24 175.77 1ppm s PHE 193 N -1.07 0.83 0.03 3.44 -0.71 -0.16 -1.28 117.98 119.06 1ppm s PHE 193 Ca 0.22 -1.11 0.02 0.00 -1.04 0.00 0.00 56.93 55.02 1ppm s PHE 193 Cb -0.16 -0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.35 1ppm s PHE 193 CO 0.11 -0.77 0.02 -0.80 -1.34 0.00 0.00 175.22 172.44 1ppm s ASN 194 N -3.10 5.18 0.03 1.98 0.01 -1.26 -1.11 114.94 116.67 1ppm s ASN 194 Ca 0.32 -0.05 0.06 0.00 -0.71 0.00 0.00 52.86 52.48 1ppm s ASN 194 Cb 0.04 -1.33 -0.03 0.00 0.41 0.00 0.00 41.25 40.34 1ppm s ASN 194 CO 0.10 0.24 -0.17 0.68 -1.51 0.00 0.00 177.10 176.44 1ppm s VAL 195 N -1.19 2.89 0.00 1.60 -7.23 -0.11 -4.67 120.40 111.69 1ppm s VAL 195 Ca 0.23 -1.09 0.11 0.00 -1.81 0.00 0.00 61.98 59.42 1ppm s VAL 195 Cb -0.12 -2.21 -0.19 0.00 0.56 0.00 0.00 36.38 34.43 1ppm s VAL 195 CO 0.14 0.38 0.99 0.44 -0.31 0.00 0.00 175.10 176.74 1ppm h ASP 196 N 4.65 0.00 -5.15 4.85 3.45 -1.16 -2.53 116.42 120.52 1ppm h ASP 196 Ca -0.47 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.11 1ppm h ASP 196 Cb 1.15 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.86 1ppm h ASP 196 CO 0.49 0.91 0.35 -0.94 -1.57 0.00 0.00 179.24 178.48 1ppm s SER 197 N -6.33 -0.22 0.04 6.45 1.04 -1.25 -2.38 113.70 111.04 1ppm s SER 197 Ca -0.02 -0.51 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 1ppm s SER 197 Cb 0.09 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 1ppm s SER 197 CO 0.81 -1.13 -0.01 -0.72 0.98 0.00 0.00 173.24 173.18 1ppm s TYR 198 N -3.61 0.36 -0.10 5.02 1.13 -1.09 -1.37 117.35 117.69 1ppm s TYR 198 Ca 0.11 -0.76 -0.00 0.00 -1.41 0.00 0.00 57.07 55.01 1ppm s TYR 198 Cb -0.04 -0.27 0.02 0.00 -1.10 0.00 0.00 41.96 40.58 1ppm s TYR 198 CO 0.05 -0.31 -0.07 0.99 -2.51 0.00 0.00 175.55 173.70 1ppm s THR 199 N -2.76 0.96 -0.49 -3.49 2.01 -0.16 -1.53 115.64 110.18 1ppm s THR 199 Ca -0.04 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1ppm s THR 199 Cb -0.00 -0.98 0.13 0.00 0.01 0.00 0.00 72.50 71.65 1ppm s THR 199 CO -0.06 0.35 0.32 0.00 -0.69 0.00 0.00 174.62 174.54 1ppm s ALA 200 N 1.63 3.35 0.00 7.40 0.00 0.62 -1.18 121.76 133.58 1ppm s ALA 200 Ca 0.03 -2.74 0.00 0.00 0.00 0.00 0.00 51.96 49.25 1ppm s ALA 200 Cb -0.13 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1ppm s ALA 200 CO -0.07 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.18 1ppm n GLY 201 N 4.37 1.98 0.32 0.00 0.00 -0.19 -1.12 105.19 110.56 1ppm n GLY 201 Ca -0.01 0.41 0.14 0.00 0.00 0.00 0.00 46.02 46.57 1ppm n GLY 201 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ppm n SER 202 N 8.98 1.06 -4.43 1.61 7.64 -1.26 -4.89 113.62 122.32 1ppm n SER 202 Ca 0.00 -1.18 -0.32 0.00 1.01 0.00 0.00 58.87 58.38 1ppm n SER 202 Cb 0.00 0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.08 1ppm n SER 202 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ppm s GLN 203 N -2.16 2.23 0.26 1.43 -1.52 -0.27 -5.15 119.66 114.48 1ppm s GLN 203 Ca 0.36 -0.87 0.11 0.00 -1.95 0.00 0.00 55.36 53.01 1ppm s GLN 203 Cb 0.21 -2.22 -0.05 0.00 -0.22 0.00 0.00 33.01 30.72 1ppm s GLN 203 CO 0.39 0.57 -0.18 -1.12 -0.25 0.00 0.00 175.29 174.71 1ppm s SER 204 N -1.00 3.72 0.33 5.90 0.01 -1.26 -0.28 113.70 121.12 1ppm s SER 204 Ca 0.12 -0.93 -0.06 0.00 1.31 0.00 0.00 55.95 56.39 1ppm s SER 204 Cb -0.10 -0.38 0.03 0.00 0.21 0.00 0.00 66.02 65.77 1ppm s SER 204 CO 0.02 0.05 0.54 0.61 0.41 0.00 0.00 173.24 174.87 1ppm n GLY 205 N -0.48 1.77 3.92 3.44 0.00 -0.58 -4.98 105.19 108.28 1ppm n GLY 205 Ca -0.07 -1.45 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 1ppm n GLY 205 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ppm s ASP 206 N -2.90 4.90 1.21 1.61 1.11 -1.26 -2.66 116.67 118.68 1ppm s ASP 206 Ca 0.21 0.57 -0.19 0.00 0.18 0.00 0.00 52.55 53.32 1ppm s ASP 206 Cb -0.02 -1.25 0.29 0.00 1.07 0.00 0.00 42.92 43.01 1ppm s ASP 206 CO 0.15 -1.56 1.11 -0.83 1.18 0.00 0.00 175.17 175.22 1ppm s GLY 207 N -4.49 1.58 0.15 0.21 0.00 -1.00 -4.44 107.32 99.32 1ppm s GLY 207 Ca 0.59 -0.95 -0.19 0.00 0.00 0.00 0.00 44.72 44.18 1ppm s GLY 207 CO 0.46 -0.06 0.90 1.97 0.00 0.00 0.00 173.10 176.36 1ppm n PHE 208 N -4.79 -1.19 -4.41 1.90 -1.74 -0.95 -4.96 117.46 101.32 1ppm n PHE 208 Ca 0.13 -1.06 -0.25 0.00 -0.56 0.00 0.00 57.45 55.71 1ppm n PHE 208 Cb 0.59 0.51 -0.10 0.00 1.52 0.00 0.00 39.48 42.01 1ppm n PHE 208 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1ppm s SER 209 N -3.11 3.75 0.30 5.98 1.04 -1.26 -0.94 113.70 119.47 1ppm s SER 209 Ca 0.20 -0.87 -0.17 0.00 0.48 0.00 0.00 55.95 55.59 1ppm s SER 209 Cb -0.02 -0.41 0.02 0.00 0.10 0.00 0.00 66.02 65.71 1ppm s SER 209 CO 0.04 0.07 0.68 -0.83 0.98 0.00 0.00 173.24 174.19 1ppm s GLY 210 N -3.16 0.21 0.06 7.32 0.00 -0.26 -1.39 107.32 110.10 1ppm s GLY 210 Ca 0.26 -0.58 0.09 0.00 0.00 0.00 0.00 44.72 44.49 1ppm s GLY 210 CO 0.14 -0.28 -0.22 -0.26 0.00 0.00 0.00 173.10 172.47 1ppm s ILE 211 N -3.51 2.49 -0.41 0.90 -4.36 -0.31 -0.99 121.20 115.01 1ppm s ILE 211 Ca 0.15 -1.37 -0.22 0.00 -0.26 0.00 0.00 60.65 58.95 1ppm s ILE 211 Cb -0.05 -2.04 0.02 0.00 1.25 0.00 0.00 42.46 41.64 1ppm s ILE 211 CO 0.09 0.29 0.74 0.00 0.24 0.00 0.00 174.94 176.31 1ppm s ALA 212 N -0.92 3.37 -0.32 2.27 0.00 -0.70 -0.86 121.76 124.60 1ppm s ALA 212 Ca 0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 1ppm s ALA 212 Cb -0.10 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.75 1ppm s ALA 212 CO 0.05 -1.68 0.12 0.34 0.00 0.00 0.00 175.76 174.59 1ppm s ASP 213 N 1.97 3.81 0.53 0.00 -1.08 -0.75 -4.48 116.67 116.67 1ppm s ASP 213 Ca 0.29 -1.66 0.34 0.00 -0.52 0.00 0.00 52.55 51.00 1ppm s ASP 213 Cb -0.13 -0.71 1.55 0.00 -1.46 0.00 0.00 42.92 42.17 1ppm s ASP 213 CO 0.19 -0.40 2.02 0.71 0.52 0.00 0.00 175.17 178.21 1ppm h THR 214 N 6.28 0.00 -0.00 1.71 1.35 -1.85 -2.94 112.91 117.46 1ppm h THR 214 Ca -0.13 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1ppm h THR 214 Cb 1.00 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1ppm h THR 214 CO 0.45 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 176.30 1ppm n GLY 215 N -0.29 -0.89 3.49 5.82 0.00 -1.26 -4.71 105.19 107.35 1ppm n GLY 215 Ca -0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1ppm n GLY 215 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ppm s THR 216 N -2.24 3.83 0.10 2.61 2.01 -1.11 -5.04 115.64 115.80 1ppm s THR 216 Ca 0.38 -0.38 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1ppm s THR 216 Cb 0.21 -2.67 -0.07 0.00 0.01 0.00 0.00 72.50 69.98 1ppm s THR 216 CO 0.41 0.49 1.50 0.74 -0.69 0.00 0.00 174.62 177.08 1ppm h THR 217 N 5.18 1.28 -5.66 -0.82 2.02 -1.86 0.13 112.91 113.17 1ppm h THR 217 Ca -0.31 -1.07 -0.41 0.00 0.77 0.00 0.00 66.41 65.40 1ppm h THR 217 Cb 1.19 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1ppm h THR 217 CO 0.62 0.34 -0.14 0.18 0.37 0.00 0.00 175.52 176.90 1ppm n LEU 218 N -4.50 0.00 -4.43 2.58 4.77 -1.26 -2.47 117.00 111.68 1ppm n LEU 218 Ca -0.03 -2.05 -0.43 0.00 -0.03 0.00 0.00 56.01 53.47 1ppm n LEU 218 Cb 0.31 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 1ppm n LEU 218 CO 0.40 -0.58 -0.07 -0.22 -1.33 0.00 0.00 177.39 175.60 1ppm s LEU 219 N 0.00 5.14 -0.33 2.23 2.96 -0.41 -2.75 118.68 125.52 1ppm s LEU 219 Ca 0.34 -0.99 -0.11 0.00 -0.22 0.00 0.00 54.13 53.14 1ppm s LEU 219 Cb -0.03 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1ppm s LEU 219 CO 0.21 -0.47 0.19 -0.76 -1.32 0.00 0.00 176.35 174.20 1ppm s LEU 220 N 1.65 4.34 0.39 -0.68 1.43 -0.37 -1.74 118.68 123.70 1ppm s LEU 220 Ca 0.04 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1ppm s LEU 220 Cb -0.20 -2.06 -0.08 0.00 0.03 0.00 0.00 46.19 43.89 1ppm s LEU 220 CO 0.09 -0.23 0.01 -0.76 0.23 0.00 0.00 176.35 175.69 1ppm s LEU 221 N 1.65 2.75 0.59 1.79 1.43 -0.48 -1.17 118.68 125.24 1ppm s LEU 221 Ca 0.05 -1.36 -0.20 0.00 -1.03 0.00 0.00 54.13 51.59 1ppm s LEU 221 Cb -0.17 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 1ppm s LEU 221 CO 0.08 -0.46 1.33 -1.81 0.23 0.00 0.00 176.35 175.73 1ppm s ASP 222 N -3.66 5.00 0.38 2.29 1.01 -1.26 -1.22 116.67 119.20 1ppm s ASP 222 Ca 0.35 2.71 0.14 0.00 0.71 0.00 0.00 52.55 56.46 1ppm s ASP 222 Cb 0.09 -2.63 0.96 0.00 1.01 0.00 0.00 42.92 42.36 1ppm s ASP 222 CO 0.17 -1.75 1.83 0.44 0.21 0.00 0.00 175.17 176.08 1ppm h ASP 223 N 1.09 0.54 -0.59 0.27 3.45 -1.96 -0.54 116.42 118.67 1ppm h ASP 223 Ca -0.51 0.06 0.02 0.00 0.43 0.00 0.00 57.03 57.03 1ppm h ASP 223 Cb 1.32 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 40.01 1ppm h ASP 223 CO 0.56 0.21 0.37 0.77 -1.57 0.00 0.00 179.24 179.58 1ppm h SER 224 N 0.53 0.62 -0.16 6.45 4.64 -2.00 0.07 113.55 123.71 1ppm h SER 224 Ca 0.50 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.68 1ppm h SER 224 Cb 1.06 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1ppm h SER 224 CO -0.23 0.44 -0.42 0.58 -0.87 0.00 0.00 176.83 176.33 1ppm h VAL 225 N 0.74 1.34 -0.36 0.95 2.07 -1.50 -2.54 116.25 116.95 1ppm h VAL 225 Ca 0.23 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 66.10 1ppm h VAL 225 Cb -0.02 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1ppm h VAL 225 CO -0.08 0.51 0.16 0.58 0.02 0.00 0.00 177.57 178.76 1ppm h VAL 226 N 0.21 0.94 -0.33 2.57 2.07 -0.98 -0.82 116.25 119.92 1ppm h VAL 226 Ca -0.01 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1ppm h VAL 226 Cb 1.03 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1ppm h VAL 226 CO 0.09 0.06 0.06 0.28 0.02 0.00 0.00 177.57 178.08 1ppm h SER 227 N 0.33 -0.01 -0.86 0.57 0.02 -0.98 -1.29 113.55 111.32 1ppm h SER 227 Ca 0.16 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1ppm h SER 227 Cb 0.10 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1ppm h SER 227 CO -0.13 0.03 0.56 -0.61 -1.14 0.00 0.00 176.83 175.54 1ppm h GLN 228 N 0.17 1.06 0.74 3.45 4.15 -1.25 0.24 115.11 123.67 1ppm h GLN 228 Ca 0.16 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1ppm h GLN 228 Cb 0.18 -0.24 0.01 0.00 0.21 0.00 0.00 27.48 27.64 1ppm h GLN 228 CO -0.21 0.70 -0.36 -0.92 -1.93 0.00 0.00 178.83 176.11 1ppm h TYR 229 N 1.09 -0.93 0.00 3.99 3.20 -0.65 -3.27 116.97 120.40 1ppm h TYR 229 Ca 0.34 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.19 1ppm h TYR 229 Cb -0.00 0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1ppm h TYR 229 CO -0.02 -0.56 0.00 1.88 -1.64 0.00 0.00 178.16 177.82 1ppm h TYR 230 N -1.18 0.00 0.00 -3.82 -1.99 -1.14 -1.63 116.97 107.22 1ppm h TYR 230 Ca -0.10 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 1ppm h TYR 230 Cb 0.79 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.51 1ppm h TYR 230 CO -0.00 0.00 -0.09 0.66 -0.00 0.00 0.00 178.16 178.73 1ppm h SER 231 N 0.00 0.00 -0.41 3.88 4.64 -1.00 -1.38 113.55 119.29 1ppm h SER 231 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ppm h SER 231 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1ppm h SER 231 CO 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 1ppm n GLN 232 N -3.48 2.14 -3.95 4.77 6.02 -0.61 -4.80 117.38 117.47 1ppm n GLN 232 Ca -0.02 -1.76 -0.34 0.00 -0.01 0.00 0.00 57.00 54.87 1ppm n GLN 232 Cb 0.23 -1.42 -0.14 0.00 1.02 0.00 0.00 30.24 29.93 1ppm n GLN 232 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ppm s VAL 233 N -1.46 2.83 0.12 5.09 1.01 -0.52 -4.86 120.40 122.61 1ppm s VAL 233 Ca 0.35 -1.25 -0.32 0.00 0.00 0.00 0.00 61.98 60.75 1ppm s VAL 233 Cb 0.19 -2.54 -0.12 0.00 0.00 0.00 0.00 36.38 33.91 1ppm s VAL 233 CO 0.26 0.04 1.77 -0.24 0.00 0.00 0.00 175.10 176.93 1ppm n SER 234 N 4.62 3.76 0.00 3.32 2.88 -1.26 -2.37 113.62 124.57 1ppm n SER 234 Ca -0.15 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1ppm n SER 234 Cb 0.45 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1ppm n SER 234 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ppm n GLY 235 N 4.04 0.35 3.76 0.46 0.00 -1.26 -4.78 105.19 107.76 1ppm n GLY 235 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1ppm n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppm s ALA 236 N -1.77 3.59 0.06 4.61 0.00 -1.00 -4.80 121.76 122.45 1ppm s ALA 236 Ca 0.00 1.35 -0.07 0.00 0.00 0.00 0.00 51.96 53.25 1ppm s ALA 236 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1ppm s ALA 236 CO 0.00 -0.77 0.13 1.14 0.00 0.00 0.00 175.76 176.26 1ppm s GLN 237 N -1.05 0.69 0.17 0.00 -2.07 -0.45 -4.95 119.66 112.01 1ppm s GLN 237 Ca 0.55 -0.84 -0.30 0.00 -1.82 0.00 0.00 55.36 52.95 1ppm s GLN 237 Cb -0.42 0.28 -0.07 0.00 -1.09 0.00 0.00 33.01 31.70 1ppm s GLN 237 CO 0.49 -0.19 0.99 -0.65 -1.32 0.00 0.00 175.29 174.61 1ppm s GLN 238 N -3.14 4.72 -0.23 9.60 -0.21 -1.26 -0.28 119.66 128.85 1ppm s GLN 238 Ca -0.00 1.53 -0.03 0.00 0.02 0.00 0.00 55.36 56.88 1ppm s GLN 238 Cb 0.02 -3.32 0.08 0.00 1.00 0.00 0.00 33.01 30.79 1ppm s GLN 238 CO -0.07 0.28 0.08 0.34 -2.12 0.00 0.00 175.29 173.80 1ppm s ASP 239 N -0.42 3.16 0.57 5.90 3.68 0.06 -4.91 116.67 124.70 1ppm s ASP 239 Ca 0.45 -1.05 0.36 0.00 2.13 0.00 0.00 52.55 54.45 1ppm s ASP 239 Cb -0.26 -0.52 1.66 0.00 -1.45 0.00 0.00 42.92 42.35 1ppm s ASP 239 CO 0.32 -0.37 2.08 0.77 0.13 0.00 0.00 175.17 178.10 1ppm h SER 240 N 8.29 0.00 -0.44 -0.34 4.64 -1.95 -0.41 113.55 123.34 1ppm h SER 240 Ca -0.16 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.03 1ppm h SER 240 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1ppm h SER 240 CO 0.38 0.00 -0.23 0.78 -0.87 0.00 0.00 176.83 176.89 1ppm h ASN 241 N 0.00 0.98 0.85 4.97 2.35 -1.94 -3.22 115.58 119.56 1ppm h ASN 241 Ca 0.00 -0.37 -0.21 0.00 -0.55 0.00 0.00 56.30 55.17 1ppm h ASN 241 Cb 0.35 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1ppm h ASN 241 CO 0.00 1.16 -1.24 0.00 -1.65 0.00 0.00 177.43 175.70 1ppm h ALA 242 N 0.91 0.61 0.00 -0.83 0.00 -1.48 -3.48 119.26 115.00 1ppm h ALA 242 Ca 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1ppm h ALA 242 Cb 0.80 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ppm h ALA 242 CO 0.07 1.17 0.00 0.41 0.00 0.00 0.00 179.25 180.89 1ppm n GLY 243 N 1.40 1.17 0.00 0.00 0.00 -0.29 -5.03 105.19 102.44 1ppm n GLY 243 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ppm n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppm n GLY 244 N -0.96 -0.19 3.74 -0.02 0.00 -1.06 -5.00 105.19 101.70 1ppm n GLY 244 Ca 0.00 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1ppm n GLY 244 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ppm s TYR 245 N -4.00 3.65 0.25 1.61 1.51 -1.26 -0.76 117.35 118.35 1ppm s TYR 245 Ca 0.00 1.66 0.06 0.00 -1.01 0.00 0.00 57.07 57.78 1ppm s TYR 245 Cb 0.00 -3.23 -0.05 0.00 -0.11 0.00 0.00 41.96 38.57 1ppm s TYR 245 CO 0.00 -0.41 -0.06 0.14 -1.11 0.00 0.00 175.55 174.11 1ppm s VAL 246 N -0.42 1.49 0.22 0.71 -7.23 0.61 -1.84 120.40 113.94 1ppm s VAL 246 Ca 0.48 -2.11 -0.22 0.00 -1.81 0.00 0.00 61.98 58.31 1ppm s VAL 246 Cb -0.29 -2.35 0.04 0.00 0.56 0.00 0.00 36.38 34.34 1ppm s VAL 246 CO 0.35 -0.36 0.74 0.72 -0.31 0.00 0.00 175.10 176.24 1ppm s PHE 247 N -3.12 -0.27 0.27 2.82 -0.71 -0.72 -1.34 117.98 114.93 1ppm s PHE 247 Ca 0.28 -0.10 -0.30 0.00 -1.04 0.00 0.00 56.93 55.78 1ppm s PHE 247 Cb 0.04 0.66 -0.10 0.00 -1.21 0.00 0.00 43.02 42.40 1ppm s PHE 247 CO 0.10 -1.05 1.40 0.34 -1.34 0.00 0.00 175.22 174.67 1ppm s ASP 248 N -2.86 6.68 0.64 1.98 -1.08 -1.26 0.68 116.67 121.45 1ppm s ASP 248 Ca 0.09 2.67 0.43 0.00 -0.52 0.00 0.00 52.55 55.22 1ppm s ASP 248 Cb -0.04 -2.63 2.32 0.00 -1.46 0.00 0.00 42.92 41.11 1ppm s ASP 248 CO 0.01 -0.66 2.31 0.00 0.52 0.00 0.00 175.17 177.35 1ppm n SER 250 N -3.01 1.98 -4.72 0.00 3.41 -1.26 -4.95 113.62 105.07 1ppm n SER 250 Ca -0.03 -1.63 -0.39 0.00 -0.26 0.00 0.00 58.87 56.56 1ppm n SER 250 Cb 0.07 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1ppm n SER 250 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ppm n THR 251 N 0.51 3.30 -2.93 6.66 -1.04 -0.90 -4.97 114.28 114.91 1ppm n THR 251 Ca 0.17 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.25 1ppm n THR 251 Cb 0.44 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.30 1ppm n THR 251 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1ppm s ASN 252 N -0.77 6.41 0.00 8.00 0.02 -1.26 -5.05 114.94 122.29 1ppm s ASN 252 Ca 0.67 -0.14 -0.07 0.00 -1.02 0.00 0.00 52.86 52.30 1ppm s ASN 252 Cb -0.45 -2.40 -0.05 0.00 0.02 0.00 0.00 41.25 38.37 1ppm s ASN 252 CO 0.53 -0.98 0.28 -0.76 0.02 0.00 0.00 177.10 176.18 1ppm s LEU 253 N 3.44 4.38 0.77 0.60 1.43 -1.26 -4.93 118.68 123.11 1ppm s LEU 253 Ca 0.31 0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 1ppm s LEU 253 Cb -0.12 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.51 1ppm s LEU 253 CO 0.22 0.26 1.10 -2.84 0.23 0.00 0.00 176.35 175.33 1ppm s PRO 254 N -1.69 2.18 0.64 1.29 0.02 -1.26 -4.25 135.00 131.93 1ppm s PRO 254 Ca 0.27 1.25 -0.09 0.00 0.02 0.00 0.00 61.00 62.45 1ppm s PRO 254 Cb -0.13 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1ppm s PRO 254 CO 0.15 -1.71 1.01 -0.51 -0.33 0.00 0.00 177.00 175.61 1ppm s ASP 255 N -3.19 5.62 -0.07 2.53 -0.00 -1.26 -4.01 116.67 116.28 1ppm s ASP 255 Ca 0.63 1.00 0.02 0.00 -0.00 0.00 0.00 52.55 54.20 1ppm s ASP 255 Cb -0.18 -1.92 0.01 0.00 -0.00 0.00 0.00 42.92 40.83 1ppm s ASP 255 CO 0.54 -1.16 -0.13 0.12 -0.00 0.00 0.00 175.17 174.54 1ppm s PHE 256 N -3.18 1.57 0.10 4.23 2.19 -0.77 -1.02 117.98 121.11 1ppm s PHE 256 Ca 0.56 -0.61 0.01 0.00 0.33 0.00 0.00 56.93 57.22 1ppm s PHE 256 Cb -0.11 -1.15 -0.04 0.00 -1.31 0.00 0.00 43.02 40.41 1ppm s PHE 256 CO 0.49 -0.31 -0.05 -1.54 1.83 0.00 0.00 175.22 175.64 1ppm s SER 257 N 0.72 1.06 0.09 6.13 1.04 -0.32 -0.22 113.70 122.19 1ppm s SER 257 Ca -0.13 -1.03 0.06 0.00 0.48 0.00 0.00 55.95 55.33 1ppm s SER 257 Cb -0.16 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 1ppm s SER 257 CO 0.03 -0.50 -0.15 0.68 0.98 0.00 0.00 173.24 174.28 1ppm s VAL 258 N -3.67 1.25 -0.26 5.02 -7.23 -0.58 -0.99 120.40 113.95 1ppm s VAL 258 Ca 0.13 -1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 58.79 1ppm s VAL 258 Cb 0.06 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 1ppm s VAL 258 CO -0.04 -0.24 0.10 -0.55 -0.31 0.00 0.00 175.10 174.06 1ppm s SER 259 N -1.91 5.37 -0.25 4.85 0.15 -0.47 -0.13 113.70 121.30 1ppm s SER 259 Ca 0.02 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1ppm s SER 259 Cb -0.09 -1.98 0.06 0.00 -1.71 0.00 0.00 66.02 62.30 1ppm s SER 259 CO 0.03 -0.04 -0.09 -0.63 1.20 0.00 0.00 173.24 173.70 1ppm s ILE 260 N 1.65 2.00 -1.55 6.45 1.01 0.19 -0.63 121.20 130.33 1ppm s ILE 260 Ca 0.07 -1.53 -0.01 0.00 0.00 0.00 0.00 60.65 59.18 1ppm s ILE 260 Cb -0.15 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1ppm s ILE 260 CO 0.06 -0.05 0.07 -1.20 0.00 0.00 0.00 174.94 173.82 1ppm n SER 261 N 4.49 0.70 0.00 3.58 7.64 -1.26 -0.97 113.62 127.80 1ppm n SER 261 Ca -0.13 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.50 1ppm n SER 261 Cb 0.43 -1.77 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 1ppm n SER 261 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppm n GLY 262 N -2.46 2.62 3.76 0.23 0.00 -1.26 -4.94 105.19 103.14 1ppm n GLY 262 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1ppm n GLY 262 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ppm s TYR 263 N -2.36 3.51 -0.35 1.61 6.14 -0.14 -5.06 117.35 120.70 1ppm s TYR 263 Ca 0.00 0.61 -0.16 0.00 0.64 0.00 0.00 57.07 58.16 1ppm s TYR 263 Cb 0.00 -2.26 -0.01 0.00 0.42 0.00 0.00 41.96 40.11 1ppm s TYR 263 CO 0.00 0.36 0.40 0.99 0.64 0.00 0.00 175.55 177.94 1ppm s THR 264 N 0.07 5.13 -0.32 4.34 2.01 -1.26 0.54 115.64 126.15 1ppm s THR 264 Ca 0.16 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 62.07 1ppm s THR 264 Cb -0.13 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1ppm s THR 264 CO 0.04 -0.14 0.49 0.00 -0.69 0.00 0.00 174.62 174.32 1ppm s ALA 265 N 2.10 3.51 -0.17 7.40 0.00 0.81 -4.92 121.76 130.50 1ppm s ALA 265 Ca 0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 1ppm s ALA 265 Cb -0.16 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1ppm s ALA 265 CO 0.12 -1.04 -0.03 0.99 0.00 0.00 0.00 175.76 175.79 1ppm s THR 266 N 2.31 3.83 -0.36 0.00 2.01 -1.26 -1.52 115.64 120.65 1ppm s THR 266 Ca 0.18 -0.37 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 1ppm s THR 266 Cb -0.16 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 1ppm s THR 266 CO 0.12 0.48 0.25 -0.69 -0.69 0.00 0.00 174.62 174.08 1ppm s VAL 267 N 0.57 5.14 0.53 3.82 1.01 0.69 -4.92 120.40 127.24 1ppm s VAL 267 Ca -0.03 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 1ppm s VAL 267 Cb -0.14 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1ppm s VAL 267 CO 0.03 -0.12 1.30 -2.16 0.00 0.00 0.00 175.10 174.15 1ppm s PRO 268 N 1.68 3.29 0.48 2.72 0.04 -1.26 -1.84 135.00 140.11 1ppm s PRO 268 Ca 0.05 2.10 0.20 0.00 0.04 0.00 0.00 61.00 63.39 1ppm s PRO 268 Cb -0.18 -2.28 1.22 0.00 0.04 0.00 0.00 34.50 33.30 1ppm s PRO 268 CO 0.10 -1.03 1.95 0.78 0.04 0.00 0.00 177.00 178.84 1ppm h GLY 269 N 1.58 0.38 1.96 0.56 0.00 -1.74 -1.63 103.07 104.18 1ppm h GLY 269 Ca -0.50 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 1ppm h GLY 269 CO 0.58 0.03 -0.14 1.48 0.00 0.00 0.00 176.54 178.49 1ppm h SER 270 N 0.22 0.05 1.49 0.19 4.64 -1.91 -1.65 113.55 116.58 1ppm h SER 270 Ca 0.32 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1ppm h SER 270 Cb 0.95 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1ppm h SER 270 CO -0.06 0.20 0.00 -0.07 -0.87 0.00 0.00 176.83 176.03 1ppm h LEU 271 N 0.05 0.00 -0.01 5.97 3.38 -1.65 -3.09 115.31 119.96 1ppm h LEU 271 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ppm h LEU 271 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ppm h LEU 271 CO 0.02 0.00 -0.04 -0.38 0.09 0.00 0.00 178.44 178.13 1ppm n ILE 272 N -2.58 0.00 -2.79 1.22 5.41 -0.62 -4.42 119.36 115.58 1ppm n ILE 272 Ca 0.04 -0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.36 1ppm n ILE 272 Cb 0.42 -0.43 -0.03 0.00 -0.71 0.00 0.00 39.64 38.89 1ppm n ILE 272 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1ppm s ASN 273 N -2.93 6.27 0.15 4.38 3.84 -1.17 0.11 114.94 125.59 1ppm s ASN 273 Ca 0.16 -1.11 -0.15 0.00 0.21 0.00 0.00 52.86 51.98 1ppm s ASN 273 Cb 0.19 -2.45 0.02 0.00 -0.55 0.00 0.00 41.25 38.46 1ppm s ASN 273 CO 0.53 -1.46 1.69 0.22 -2.79 0.00 0.00 177.10 175.30 1ppm h TYR 274 N 9.55 0.70 0.00 0.43 3.20 -1.52 -3.47 116.97 125.86 1ppm h TYR 274 Ca -0.17 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1ppm h TYR 274 Cb 1.05 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1ppm h TYR 274 CO 1.05 0.60 0.00 0.41 -1.64 0.00 0.00 178.16 178.58 1ppm n GLY 275 N -0.78 -0.70 3.69 1.82 0.00 -1.25 -4.89 105.19 103.09 1ppm n GLY 275 Ca 0.01 -1.55 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 1ppm n GLY 275 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ppm n PRO 276 N -0.55 2.33 0.21 1.61 -0.04 -1.26 0.15 135.00 137.45 1ppm n PRO 276 Ca 0.00 0.83 0.14 0.00 -0.04 0.00 0.00 63.50 64.44 1ppm n PRO 276 Cb 0.00 -2.58 0.49 0.00 -0.04 0.00 0.00 33.50 31.38 1ppm n PRO 276 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ppm h SER 277 N 5.18 0.00 0.00 3.54 4.64 -1.32 -3.41 113.55 122.17 1ppm h SER 277 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ppm h SER 277 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ppm h SER 277 CO 0.83 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1ppm n GLY 278 N 0.42 0.76 2.96 -0.77 0.00 -1.26 -4.67 105.19 102.63 1ppm n GLY 278 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1ppm n GLY 278 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ppm n ASP 279 N -0.03 4.27 0.00 1.61 2.03 -1.26 -4.98 116.55 118.19 1ppm n ASP 279 Ca 0.00 -3.23 0.00 0.00 0.52 0.00 0.00 54.79 52.08 1ppm n ASP 279 Cb 0.01 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1ppm n ASP 279 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ppm n GLY 280 N 1.89 0.84 1.74 0.27 0.00 -1.26 -3.78 105.19 104.89 1ppm n GLY 280 Ca 0.23 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.66 1ppm n GLY 280 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ppm n SER 281 N 5.68 5.34 -4.90 1.61 3.41 -1.26 -4.77 113.62 118.73 1ppm n SER 281 Ca 0.00 -2.79 -0.24 0.00 -0.26 0.00 0.00 58.87 55.58 1ppm n SER 281 Cb 0.00 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 1ppm n SER 281 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ppm s THR 282 N -2.49 2.04 0.16 6.66 -4.23 -1.25 -4.47 115.64 112.06 1ppm s THR 282 Ca 0.53 -1.40 0.11 0.00 -1.18 0.00 0.00 61.69 59.74 1ppm s THR 282 Cb 0.39 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 1ppm s THR 282 CO 0.18 0.00 -0.24 0.00 -0.54 0.00 0.00 174.62 174.03 1ppm s LEU 284 N -2.38 4.51 0.50 0.00 2.96 0.12 -1.75 118.68 122.63 1ppm s LEU 284 Ca 0.18 1.18 -0.18 0.00 -0.22 0.00 0.00 54.13 55.09 1ppm s LEU 284 Cb -0.09 -2.85 -0.08 0.00 0.50 0.00 0.00 46.19 43.67 1ppm s LEU 284 CO 0.09 0.28 1.00 -0.83 -1.32 0.00 0.00 176.35 175.56 1ppm s GLY 285 N -1.14 2.25 0.19 7.98 0.00 -0.76 -1.64 107.32 114.20 1ppm s GLY 285 Ca 0.28 0.35 0.26 0.00 0.00 0.00 0.00 44.72 45.62 1ppm s GLY 285 CO 0.18 0.64 1.77 0.61 0.00 0.00 0.00 173.10 176.30 1ppm n GLY 286 N -0.98 -1.69 3.69 0.20 0.00 0.30 -4.66 105.19 102.06 1ppm n GLY 286 Ca 0.07 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1ppm n GLY 286 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ppm s ILE 287 N -3.10 5.37 0.22 -0.61 1.01 -1.26 -1.29 121.20 121.54 1ppm s ILE 287 Ca 0.11 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 1ppm s ILE 287 Cb 0.13 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1ppm s ILE 287 CO 0.60 0.38 0.24 -1.10 0.00 0.00 0.00 174.94 175.06 1ppm s GLN 288 N 0.79 1.33 0.50 2.79 -1.52 -0.71 -4.79 119.66 118.05 1ppm s GLN 288 Ca 0.08 -1.52 -0.21 0.00 -1.95 0.00 0.00 55.36 51.76 1ppm s GLN 288 Cb -0.13 0.33 -0.07 0.00 -0.22 0.00 0.00 33.01 32.93 1ppm s GLN 288 CO 0.02 -0.48 1.15 0.45 -0.25 0.00 0.00 175.29 176.19 1ppm s SER 289 N -3.12 5.92 0.00 5.90 0.15 -1.26 -1.39 113.70 119.89 1ppm s SER 289 Ca 0.34 2.25 0.14 0.00 0.70 0.00 0.00 55.95 59.38 1ppm s SER 289 Cb 0.04 -2.59 0.40 0.00 -1.71 0.00 0.00 66.02 62.16 1ppm s SER 289 CO 0.12 -1.09 1.33 -0.46 1.20 0.00 0.00 173.24 174.33 1ppm n ASN 290 N -0.92 2.29 -1.79 5.45 0.23 -0.36 -4.65 115.26 115.52 1ppm n ASN 290 Ca 0.10 -1.99 -0.17 0.00 -0.53 0.00 0.00 54.58 51.99 1ppm n ASN 290 Cb 0.49 -0.28 -0.03 0.00 -2.08 0.00 0.00 39.78 37.89 1ppm n ASN 290 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1ppm n SER 291 N 0.75 -5.08 -0.53 0.53 7.64 -1.26 -3.13 113.62 112.54 1ppm n SER 291 Ca 0.15 0.11 -0.06 0.00 1.01 0.00 0.00 58.87 60.07 1ppm n SER 291 Cb 0.36 -4.15 -0.02 0.00 -1.01 0.00 0.00 64.21 59.40 1ppm n SER 291 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppm n GLY 292 N -0.97 0.70 0.05 0.23 0.00 -1.26 -4.96 105.19 98.98 1ppm n GLY 292 Ca -0.20 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.19 1ppm n GLY 292 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ppm n ILE 293 N -3.08 0.74 -0.17 -0.61 -5.35 -1.18 -4.92 119.36 104.79 1ppm n ILE 293 Ca -0.07 0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 1ppm n ILE 293 Cb 0.28 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 37.27 1ppm n ILE 293 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ppm n GLY 294 N 0.40 0.58 3.41 3.28 0.00 -1.26 -5.04 105.19 106.56 1ppm n GLY 294 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1ppm n GLY 294 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ppm s PHE 295 N -2.34 -0.47 0.16 1.61 -0.71 -1.26 -4.88 117.98 110.09 1ppm s PHE 295 Ca 0.00 0.49 -0.03 0.00 -1.04 0.00 0.00 56.93 56.34 1ppm s PHE 295 Cb 0.00 0.40 -0.05 0.00 -1.21 0.00 0.00 43.02 42.15 1ppm s PHE 295 CO 0.00 -0.69 0.38 -1.12 -1.34 0.00 0.00 175.22 172.45 1ppm s SER 296 N -2.10 6.45 -0.36 1.98 0.01 -0.48 -4.89 113.70 114.31 1ppm s SER 296 Ca -0.04 0.53 -0.04 0.00 1.31 0.00 0.00 55.95 57.71 1ppm s SER 296 Cb -0.00 -2.06 0.07 0.00 0.21 0.00 0.00 66.02 64.23 1ppm s SER 296 CO -0.03 0.02 0.11 -0.63 0.41 0.00 0.00 173.24 173.12 1ppm s ILE 297 N -1.73 3.40 -1.16 1.44 1.09 -0.32 -1.17 121.20 122.76 1ppm s ILE 297 Ca 0.40 -1.53 -0.17 0.00 -1.10 0.00 0.00 60.65 58.25 1ppm s ILE 297 Cb -0.12 -3.08 0.12 0.00 -1.06 0.00 0.00 42.46 38.33 1ppm s ILE 297 CO 0.26 -0.35 1.47 -0.36 -0.10 0.00 0.00 174.94 175.86 1ppm s PHE 298 N 1.27 3.12 0.00 3.97 0.40 -0.03 -1.24 117.98 125.46 1ppm s PHE 298 Ca 0.01 -1.71 0.00 0.00 -0.60 0.00 0.00 56.93 54.63 1ppm s PHE 298 Cb -0.21 -4.48 0.00 0.00 0.51 0.00 0.00 43.02 38.84 1ppm s PHE 298 CO -0.01 -1.59 0.00 0.41 0.70 0.00 0.00 175.22 174.73 1ppm n GLY 299 N 5.05 -0.18 0.36 4.36 0.00 -1.11 -1.82 105.19 111.86 1ppm n GLY 299 Ca 0.37 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.70 1ppm n GLY 299 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ppm h ASP 300 N 0.00 0.61 -0.73 1.61 3.45 -0.63 -1.17 116.42 119.56 1ppm h ASP 300 Ca 0.00 0.01 0.11 0.00 0.43 0.00 0.00 57.03 57.58 1ppm h ASP 300 Cb 0.00 -0.12 -0.08 0.00 -0.56 0.00 0.00 39.33 38.57 1ppm h ASP 300 CO 0.00 0.37 0.33 0.40 -1.57 0.00 0.00 179.24 178.77 1ppm h ILE 301 N 0.68 0.77 -0.06 0.35 1.08 -1.71 -0.85 117.51 117.77 1ppm h ILE 301 Ca 0.33 -0.18 -0.05 0.00 -0.39 0.00 0.00 64.86 64.57 1ppm h ILE 301 Cb 0.40 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1ppm h ILE 301 CO -0.12 0.10 -0.16 0.15 -0.69 0.00 0.00 178.15 177.43 1ppm h PHE 302 N 0.53 0.27 -0.03 1.37 3.57 -1.57 -3.32 116.94 117.76 1ppm h PHE 302 Ca 0.38 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 1ppm h PHE 302 Cb 0.48 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1ppm h PHE 302 CO -0.13 0.77 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.51 1ppm h LEU 303 N -0.31 0.04 -1.93 0.59 3.38 -1.02 -2.30 115.31 113.76 1ppm h LEU 303 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ppm h LEU 303 Cb 0.77 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ppm h LEU 303 CO 0.03 0.19 0.07 0.11 0.09 0.00 0.00 178.44 178.93 1ppm h LYS 304 N 0.04 0.00 0.00 1.13 1.57 -1.26 -1.96 116.57 116.10 1ppm h LYS 304 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ppm h LYS 304 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ppm h LYS 304 CO 0.02 0.00 -1.05 -1.13 -0.57 0.00 0.00 179.45 176.72 1ppm n SER 305 N -2.56 0.63 -4.32 0.86 3.41 -0.87 -4.79 113.62 105.99 1ppm n SER 305 Ca -0.02 -0.33 -0.19 0.00 -0.26 0.00 0.00 58.87 58.07 1ppm n SER 305 Cb 0.11 0.87 -0.11 0.00 -0.26 0.00 0.00 64.21 64.82 1ppm n SER 305 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ppm s GLN 306 N -3.17 1.24 -0.24 4.33 -1.52 -0.74 -2.46 119.66 117.10 1ppm s GLN 306 Ca 0.04 -1.45 -0.10 0.00 -1.95 0.00 0.00 55.36 51.91 1ppm s GLN 306 Cb 0.15 -1.13 -0.05 0.00 -0.22 0.00 0.00 33.01 31.76 1ppm s GLN 306 CO 0.81 0.21 0.14 -0.47 -0.25 0.00 0.00 175.29 175.73 1ppm s TYR 307 N -2.48 3.28 -0.07 0.91 6.14 0.36 -4.61 117.35 120.88 1ppm s TYR 307 Ca 0.17 0.13 0.05 0.00 0.64 0.00 0.00 57.07 58.07 1ppm s TYR 307 Cb -0.03 -2.25 -0.01 0.00 0.42 0.00 0.00 41.96 40.09 1ppm s TYR 307 CO 0.06 0.02 -0.25 0.08 0.64 0.00 0.00 175.55 176.10 1ppm s VAL 308 N 1.07 2.05 -0.21 3.14 1.01 -0.84 -2.37 120.40 124.24 1ppm s VAL 308 Ca 0.07 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 1ppm s VAL 308 Cb -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1ppm s VAL 308 CO 0.04 0.57 0.02 -0.69 0.00 0.00 0.00 175.10 175.04 1ppm s VAL 309 N 0.00 4.11 -0.50 2.92 1.01 0.29 -0.86 120.40 127.38 1ppm s VAL 309 Ca -0.09 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 1ppm s VAL 309 Cb -0.15 -2.88 0.11 0.00 0.00 0.00 0.00 36.38 33.46 1ppm s VAL 309 CO 0.05 0.41 0.42 -0.36 0.00 0.00 0.00 175.10 175.62 1ppm s PHE 310 N 1.12 3.29 -0.21 5.22 0.40 0.38 -0.82 117.98 127.36 1ppm s PHE 310 Ca 0.03 -1.32 -0.06 0.00 -0.60 0.00 0.00 56.93 54.98 1ppm s PHE 310 Cb -0.14 -3.49 -0.03 0.00 0.51 0.00 0.00 43.02 39.87 1ppm s PHE 310 CO 0.02 -0.94 0.02 0.34 0.70 0.00 0.00 175.22 175.36 1ppm s ASP 311 N 3.01 4.91 0.50 1.36 -1.08 -0.29 -1.84 116.67 123.24 1ppm s ASP 311 Ca 0.04 -0.20 0.32 0.00 -0.52 0.00 0.00 52.55 52.18 1ppm s ASP 311 Cb -0.27 -1.85 1.30 0.00 -1.46 0.00 0.00 42.92 40.64 1ppm s ASP 311 CO 0.03 0.04 1.94 0.77 0.52 0.00 0.00 175.17 178.47 1ppm h SER 312 N 7.69 0.00 -3.68 -0.34 4.64 -1.61 -1.64 113.55 118.61 1ppm h SER 312 Ca -0.37 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.37 1ppm h SER 312 Cb 1.18 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.18 1ppm h SER 312 CO 0.61 0.00 0.73 -1.81 -0.87 0.00 0.00 176.83 175.48 1ppm s ASP 313 N -5.42 6.56 0.00 4.97 1.01 -1.26 -4.00 116.67 118.53 1ppm s ASP 313 Ca 0.02 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.56 1ppm s ASP 313 Cb 0.09 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1ppm s ASP 313 CO 0.52 -1.13 0.00 0.61 0.21 0.00 0.00 175.17 175.38 1ppm n GLY 314 N 4.87 1.71 3.72 0.21 0.00 -1.26 -3.75 105.19 110.69 1ppm n GLY 314 Ca 0.09 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1ppm n GLY 314 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ppm s PRO 315 N 0.00 1.02 0.18 1.61 0.04 -1.26 -4.97 135.00 131.62 1ppm s PRO 315 Ca 0.00 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 61.52 1ppm s PRO 315 Cb 0.00 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.77 1ppm s PRO 315 CO 0.00 -2.36 0.47 1.14 0.04 0.00 0.00 177.00 176.30 1ppm s GLN 316 N -5.00 1.28 -0.04 4.56 -2.07 -0.62 -1.81 119.66 115.96 1ppm s GLN 316 Ca 0.64 -0.85 0.07 0.00 -1.82 0.00 0.00 55.36 53.40 1ppm s GLN 316 Cb -0.18 0.50 -0.01 0.00 -1.09 0.00 0.00 33.01 32.23 1ppm s GLN 316 CO 0.57 -0.53 -0.25 -0.51 -1.32 0.00 0.00 175.29 173.24 1ppm s LEU 317 N -2.86 2.06 0.05 2.60 1.43 -0.60 -1.14 118.68 120.21 1ppm s LEU 317 Ca 0.08 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1ppm s LEU 317 Cb 0.00 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 1ppm s LEU 317 CO -0.05 0.28 -0.13 -0.83 0.23 0.00 0.00 176.35 175.85 1ppm s GLY 318 N -0.37 1.68 0.05 -3.19 0.00 -0.00 -1.03 107.32 104.45 1ppm s GLY 318 Ca 0.03 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.64 1ppm s GLY 318 CO 0.01 -1.06 -0.14 -1.36 0.00 0.00 0.00 173.10 170.55 1ppm s PHE 319 N -1.02 1.23 0.10 1.90 0.08 0.02 -0.55 117.98 119.74 1ppm s PHE 319 Ca 0.17 -0.38 -0.23 0.00 0.12 0.00 0.00 56.93 56.62 1ppm s PHE 319 Cb -0.11 -0.72 0.06 0.00 -0.57 0.00 0.00 43.02 41.68 1ppm s PHE 319 CO 0.08 0.04 0.56 0.00 -0.10 0.00 0.00 175.22 175.80 1ppm s ALA 320 N -0.95 -1.44 0.32 5.36 0.00 -1.00 -1.13 121.76 122.92 1ppm s ALA 320 Ca 0.01 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 1ppm s ALA 320 Cb -0.08 0.62 -0.10 0.00 0.00 0.00 0.00 23.12 23.55 1ppm s ALA 320 CO 0.01 -0.63 1.33 -2.14 0.00 0.00 0.00 175.76 174.33 1ppm s PRO 321 N -3.11 4.33 0.44 0.00 0.02 -1.26 -0.48 135.00 134.93 1ppm s PRO 321 Ca -0.02 2.25 -0.25 0.00 0.02 0.00 0.00 61.00 63.00 1ppm s PRO 321 Cb -0.00 -3.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.37 1ppm s PRO 321 CO -0.07 -0.24 1.28 -0.65 -0.33 0.00 0.00 177.00 176.99 1ppm s GLN 322 N -1.63 3.78 0.00 5.54 -0.21 -1.03 -1.54 119.66 124.58 1ppm s GLN 322 Ca 0.50 2.08 0.31 0.00 0.02 0.00 0.00 55.36 58.27 1ppm s GLN 322 Cb -0.40 -2.60 1.83 0.00 1.00 0.00 0.00 33.01 32.84 1ppm s GLN 322 CO 0.52 -0.62 2.16 0.00 -2.12 0.00 0.00 175.29 175.23