NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
576882 | 2mk5 | 19752 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
assign (resid 96 and name HN) (resid 96 and name HE1) 3.65 1.85 1.85 ! 0.5004 0:10 Ambig 4.78, 5.02 A or (resid 92 and name HN) (resid 96 and name HE1) ! 0.4996 0:10 ----- 4.78, 5.23 A assign (resid 93 and name HN) (resid 96 and name HE1) 4.15 2.35 2.35 ! 0.0000 1:10 Mid 4.80, 5.37 A assign (resid 91 and name HN) (resid 96 and name HE1) 3.15 1.35 1.35 ! 0.9979 2:10 Long 2.61, 3.32 A assign (resid 94 and name HN) (resid 96 and name HE1) 3.15 1.35 1.35 ! 0.9768 3:10 Mid 2.72, 3.14 A assign (resid 95 and name HN) (resid 96 and name HE1) 3.65 1.85 1.85 ! 0.0000 4:10 Seq 5.05, 5.27 A assign (resid 96 and name HD1) (resid 96 and name HE1) 3.15 1.35 1.35 ! 0.9969 6:10 Intra 2.55, 2.56 A assign (resid 96 and name HZ2) (resid 96 and name HE1) 3.15 1.35 1.35 ! 0.9933 7:10 Intra 2.79, 2.82 A assign (resid 96 and name HA) (resid 96 and name HE1) 4.15 2.35 2.35 ! 0.0000 9:10 Intra 5.32, 5.42 A assign (resid 90 and name HA) (resid 96 and name HE1) 3.65 1.85 1.85 ! 0.5283 10:10 Ambig 4.33, 5.08 A or (resid 95 and name HA) (resid 96 and name HE1) ! 0.4717 10:10 ----- 4.41, 4.77 A assign (resid 68 and name HA) (resid 96 and name HE1) 3.65 1.85 1.85 ! 0.0000 12:10 Long 4.17, 4.80 A assign (resid 110 and name HA) (resid 96 and name HE1) 3.65 1.85 1.85 ! 0.7794 13:10 Ambig 4.45, 4.79 A or (resid 113 and name HA) (resid 96 and name HE1) ! 0.0823 13:10 ----- 6.48, 7.02 A or (resid 44 and name HA) (resid 96 and name HE1) ! 0.0804 13:10 ----- 6.50, 7.11 A assign (resid 96 and name HB2) (resid 96 and name HE1) 3.65 1.85 1.85 ! 0.0000 14:10 Intra 4.78, 4.80 A assign (resid 94 and name HB2) (resid 96 and name HE1) 3.15 1.35 1.35 ! 0.0000 15:10 Mid 2.11, 2.53 A assign (resid 94 and name HB1) (resid 96 and name HE1) 3.15 1.35 1.35 ! 0.9503 16:10 Mid 3.68, 3.95 A assign (resid 91 and name HB1) (resid 96 and name HE1) 3.15 1.35 1.35 ! 0.9993 18:10 Long 1.80, 1.94 A assign (resid 91 and name HG2) (resid 96 and name HE1) 3.65 1.85 1.85 ! 0.9880 19:10 Long 2.88, 3.53 A assign (resid 91 and name HG1) (resid 96 and name HE1) 3.15 1.35 1.35 ! 0.9203 21:10 Long 3.06, 3.32 A assign (resid 69 and name HD2*) (resid 96 and name HE1) 3.65 1.85 1.85 ! 0.9935 22:10 Long 3.05, 4.67 A assign (resid 67 and name HB*) (resid 96 and name HE1) 3.15 1.35 1.35 ! 0.0000 24:10 Long 3.60, 4.65 A assign (resid 96 and name HE1) (resid 92 and name HN) 4.15 2.35 2.35 ! 0.0000 25:10 Mid 4.78, 5.23 A assign (resid 93 and name HN) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.0000 26:10 Seq 4.30, 4.35 A assign (resid 91 and name HN) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.0000 27:10 Seq 4.17, 4.31 A assign (resid 94 and name HN) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.8675 28:10 Ambig 4.62, 4.83 A or (resid 69 and name HN) (resid 92 and name HN) ! 0.1325 28:10 ----- 6.32, 6.98 A assign (resid 91 and name HE21) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.9473 29:10 Seq 3.95, 4.93 A assign (resid 91 and name HE22) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.0000 32:10 Seq 4.27, 4.62 A assign (resid 90 and name HA) (resid 92 and name HN) 4.15 2.35 2.35 ! 0.7528 33:10 Ambig 5.67, 5.91 A or (resid 95 and name HA) (resid 92 and name HN) ! 0.2472 33:10 ----- 6.82, 7.22 A assign (resid 92 and name HA) (resid 92 and name HN) 2.65 0.85 0.85 ! 0.9845 35:10 Intra 2.73, 2.75 A assign (resid 44 and name HA) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.6803 36:10 Ambig 4.43, 4.72 A or (resid 93 and name HA1) (resid 92 and name HN) ! 0.1964 36:10 ----- 5.45, 5.56 A or (resid 117 and name HA) (resid 92 and name HN) ! 0.0795 36:10 ----- 6.34, 7.73 A assign (resid 93 and name HA2) (resid 92 and name HN) 4.15 2.35 2.35 ! 0.0000 37:10 Seq 6.17, 6.24 A assign (resid 91 and name HB2) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.9734 38:10 Seq 4.04, 4.18 A assign (resid 92 and name HB*) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.9909 39:10 Intra 2.41, 2.89 A assign (resid 91 and name HB1) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.0000 40:10 Seq 3.96, 4.11 A assign (resid 91 and name HG2) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.0000 41:10 Seq 4.11, 4.40 A assign (resid 91 and name HG1) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.9676 42:10 Seq 2.68, 3.02 A assign (resid 90 and name HG2*) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.7564 43:10 Ambig 3.93, 5.27 A or (resid 69 and name HD2*) (resid 92 and name HN) ! 0.2436 43:10 ----- 4.75, 6.55 A assign (resid 46 and name HN) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.9535 44:10 Seq 4.39, 4.46 A assign (resid 90 and name HN) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.0000 46:10 Long 2.84, 3.06 A assign (resid 76 and name HN) (resid 77 and name HN) 4.15 2.35 2.35 ! 0.9686 47:10 Seq 4.14, 4.28 A assign (resid 61 and name HN) (resid 77 and name HN) 4.15 2.35 2.35 ! 0.0000 48:10 Long 4.47, 4.70 A assign (resid 91 and name HN) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.0000 50:10 Long 4.91, 5.12 A assign (resid 40 and name HN) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.0000 51:10 Long 4.65, 4.74 A assign (resid 122 and name HN) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.9969 52:10 Long 2.73, 3.03 A assign (resid 116 and name HN) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.0000 53:10 Seq 4.22, 4.39 A assign (resid 60 and name HN) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.0000 54:10 Long 2.92, 3.16 A assign (resid 62 and name HN) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.0000 55:10 Long 3.44, 3.75 A assign (resid 44 and name HN) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.6530 57:10 Ambig 4.34, 4.43 A or (resid 91 and name HE21) (resid 45 and name HN) ! 0.3470 57:10 ----- 4.82, 6.50 A assign (resid 76 and name HD22) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.0000 59:10 Seq 3.81, 4.48 A assign (resid 37 and name HZ3) (resid 45 and name HN) 4.15 2.35 2.35 ! 0.9233 60:10 Long 4.88, 5.48 A assign (resid 46 and name HD*) (resid 45 and name HN) 4.15 2.35 2.35 ! 0.0000 62:10 Seq 5.00, 6.79 A assign (resid 45 and name HA) (resid 45 and name HE1) 4.15 2.35 2.35 ! 0.0000 63:10 Intra 5.28, 5.40 A assign (resid 89 and name HA) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.6180 64:10 Ambig 4.45, 4.72 A or (resid 46 and name HA) (resid 45 and name HN) ! 0.3820 64:10 ----- 4.83, 5.01 A assign (resid 45 and name HA) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.0000 65:10 Intra 2.89, 2.92 A assign (resid 76 and name HA) (resid 77 and name HN) 2.65 0.85 0.85 ! 0.9990 66:10 Seq 2.06, 2.14 A assign (resid 90 and name HA) (resid 45 and name HN) 4.15 2.35 2.35 ! 0.9073 69:10 Long 4.67, 4.89 A assign (resid 62 and name HB) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.3305 70:10 Ambig 4.11, 5.59 A or (resid 78 and name HD1) (resid 77 and name HN) ! 0.2797 70:10 ----- 4.23, 4.49 A or (resid 60 and name HA) (resid 77 and name HN) ! 0.1738 70:10 ----- 4.58, 4.74 A or (resid 78 and name HA) (resid 77 and name HN) ! 0.1451 70:10 ----- 4.72, 5.04 A assign (resid 61 and name HA) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.9955 71:10 Long 2.80, 3.17 A assign (resid 117 and name HA) (resid 45 and name HE1) 4.15 2.35 2.35 ! 0.7447 72:10 Ambig 4.33, 5.42 A or (resid 44 and name HA) (resid 45 and name HE1) ! 0.2553 72:10 ----- 5.18, 5.66 A assign (resid 44 and name HA) (resid 45 and name HN) 2.65 0.85 0.85 ! 0.9987 75:10 Seq 2.15, 2.21 A assign (resid 114 and name HA) (resid 115 and name HN) 2.30 0.50 0.50 ! 0.9816 76:10 Seq 2.02, 2.12 A assign (resid 116 and name HA2) (resid 115 and name HN) 3.65 1.85 1.85 ! 0.5768 77:10 Ambig 4.62, 5.46 A or (resid 113 and name HB) (resid 115 and name HN) ! 0.2418 77:10 ----- 5.35, 6.17 A or (resid 113 and name HA) (resid 115 and name HN) ! 0.1814 77:10 ----- 5.61, 5.95 A assign (resid 75 and name HA1) (resid 77 and name HN) 4.15 2.35 2.35 ! 0.6866 78:10 Ambig 5.15, 5.79 A or (resid 110 and name HD2) (resid 77 and name HN) ! 0.3134 78:10 ----- 5.87, 6.30 A assign (resid 78 and name HD2) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.0000 79:10 Seq 4.68, 4.80 A assign (resid 43 and name HA2) (resid 45 and name HE1) 3.65 1.85 1.85 ! 0.4854 81:10 Ambig 4.43, 5.43 A or (resid 37 and name HB2) (resid 37 and name HE1) ! 0.3199 81:10 ----- 4.75, 4.80 A or (resid 119 and name HD1) (resid 37 and name HE1) ! 0.1633 81:10 ----- 5.32, 6.09 A assign (resid 116 and name HA1) (resid 115 and name HN) 3.65 1.85 1.85 ! 0.0000 82:10 Seq 4.50, 4.78 A assign (resid 76 and name HB2) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.9503 83:10 Seq 3.94, 4.18 A assign (resid 37 and name HB1) (resid 37 and name HE1) 3.65 1.85 1.85 ! 0.3829 84:10 Ambig 5.21, 5.25 A or (resid 45 and name HB1) (resid 45 and name HE1) ! 0.3772 84:10 ----- 5.22, 5.26 A or (resid 45 and name HB1) (resid 37 and name HE1) ! 0.1403 84:10 ----- 6.16, 6.67 A assign (resid 45 and name HB2) (resid 45 and name HE1) 3.65 1.85 1.85 ! 0.8712 85:10 Ambig 4.77, 4.81 A or (resid 45 and name HB2) (resid 37 and name HE1) ! 0.1288 85:10 ----- 6.56, 7.29 A assign (resid 39 and name HE1) (resid 45 and name HE1) 4.15 2.35 2.35 ! 0.0000 86:10 Long 3.20, 4.56 A assign (resid 45 and name HB1) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.9061 87:10 Intra 3.58, 3.63 A assign (resid 45 and name HB2) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.9457 88:10 Intra 2.35, 2.41 A assign (resid 91 and name HB2) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.0000 89:10 Long 4.75, 5.06 A assign (resid 115 and name HG2) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.6490 90:10 Ambig 2.12, 3.97 A or (resid 115 and name HG1) (resid 115 and name HN) ! 0.1710 90:10 ----- 2.65, 3.87 A or (resid 114 and name HB1) (resid 115 and name HN) ! 0.1619 90:10 ----- 2.67, 3.45 A assign (resid 76 and name HB1) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.6439 91:10 Ambig 3.98, 4.15 A or (resid 59 and name HB1) (resid 77 and name HN) ! 0.3561 91:10 ----- 4.39, 4.83 A assign (resid 77 and name HB2) (resid 77 and name HN) 2.65 0.85 0.85 ! 0.9640 92:10 Intra 2.66, 2.76 A assign (resid 60 and name HB) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.7973 93:10 Ambig 3.48, 3.81 A or (resid 77 and name HG) (resid 77 and name HN) ! 0.2027 93:10 ----- 4.38, 4.42 A assign (resid 91 and name HB1) (resid 45 and name HN) 4.15 2.35 2.35 ! 0.0000 95:10 Long 6.02, 6.26 A assign (resid 115 and name HB1) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.9389 96:10 Intra 2.46, 3.25 A assign (resid 115 and name HB2) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.9950 97:10 Intra 2.44, 2.79 A assign (resid 122 and name HB) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.9919 98:10 Long 2.23, 2.60 A assign (resid 77 and name HB1) (resid 77 and name HN) 2.65 0.85 0.85 ! 0.7103 100:10 Ambig 2.38, 2.46 A or (resid 62 and name HG2*) (resid 77 and name HN) ! 0.2873 100:10 ----- 2.77, 4.10 A assign (resid 60 and name HG2*) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.4010 101:10 Ambig 4.59, 5.53 A or (resid 77 and name HD2*) (resid 77 and name HN) ! 0.3070 101:10 ----- 4.80, 5.30 A or (resid 61 and name HG2*) (resid 77 and name HN) ! 0.2919 101:10 ----- 4.84, 6.22 A assign (resid 61 and name HG1*) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.4782 102:10 Ambig 4.37, 6.57 A or (resid 77 and name HD1*) (resid 77 and name HN) ! 0.3240 102:10 ----- 4.66, 5.22 A or (resid 60 and name HG11) (resid 77 and name HN) ! 0.1978 102:10 ----- 5.06, 5.40 A assign (resid 39 and name HD2) (resid 45 and name HE1) 3.65 1.85 1.85 ! 0.8381 103:10 Ambig 2.86, 3.98 A or (resid 117 and name HB) (resid 45 and name HE1) ! 0.1556 103:10 ----- 3.78, 5.78 A assign (resid 39 and name HD1) (resid 45 and name HE1) 3.15 1.35 1.35 ! 0.8972 104:10 Ambig 2.41, 4.60 A or (resid 118 and name HD2) (resid 45 and name HE1) ! 0.1013 104:10 ----- 3.46, 4.03 A assign (resid 117 and name HG1*) (resid 45 and name HE1) 3.15 1.35 1.35 ! 0.5197 105:10 Ambig 3.47, 5.73 A or (resid 39 and name HB2) (resid 45 and name HE1) ! 0.2394 105:10 ----- 3.94, 4.53 A or (resid 47 and name HB1) (resid 37 and name HE1) ! 0.1667 105:10 ----- 4.19, 5.06 A assign (resid 47 and name HD2) (resid 37 and name HE1) 3.65 1.85 1.85 ! 0.9362 106:10 Long 3.20, 4.63 A assign (resid 90 and name HB) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.0000 108:10 Long 3.01, 3.45 A assign (resid 44 and name HG2*) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.9814 109:10 Seq 2.48, 3.44 A assign (resid 90 and name HG2*) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.6141 110:10 Ambig 4.07, 5.21 A or (resid 39 and name HB2) (resid 45 and name HN) ! 0.1956 110:10 ----- 4.93, 5.95 A or (resid 90 and name HG11) (resid 45 and name HN) ! 0.1902 110:10 ----- 4.95, 5.30 A assign (resid 122 and name HG12) (resid 115 and name HN) 3.65 1.85 1.85 ! 0.0000 112:10 Long 3.99, 5.07 A assign (resid 122 and name HG11) (resid 115 and name HN) 3.65 1.85 1.85 ! 0.0000 113:10 Long 4.40, 4.63 A assign (resid 122 and name HG2*) (resid 115 and name HN) 3.15 1.35 1.35 ! 0.7244 114:10 Ambig 3.71, 4.69 A or (resid 122 and name HD1*) (resid 115 and name HN) ! 0.2756 114:10 ----- 4.36, 5.73 A assign (resid 47 and name HD1) (resid 37 and name HE1) 3.15 1.35 1.35 ! 0.7227 115:10 Ambig 2.84, 3.65 A or (resid 39 and name HG1) (resid 45 and name HE1) ! 0.1880 115:10 ----- 3.56, 4.04 A assign (resid 39 and name HG1) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.5787 117:10 Ambig 3.67, 4.67 A or (resid 118 and name HG2) (resid 45 and name HN) ! 0.4213 117:10 ----- 3.87, 4.83 A assign (resid 90 and name HD1*) (resid 37 and name HE1) 3.15 1.35 1.35 ! 0.4253 118:10 Ambig 4.16, 5.59 A or (resid 118 and name HG1) (resid 45 and name HE1) ! 0.2555 118:10 ----- 4.53, 5.88 A or (resid 118 and name HG1) (resid 37 and name HE1) ! 0.1991 118:10 ----- 4.72, 5.37 A or (resid 39 and name HB1) (resid 45 and name HE1) ! 0.1200 118:10 ----- 5.13, 5.94 A assign (resid 118 and name HG1) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.5870 119:10 Ambig 4.73, 5.23 A or (resid 90 and name HD1*) (resid 45 and name HN) ! 0.3044 119:10 ----- 5.27, 6.49 A or (resid 39 and name HB1) (resid 45 and name HN) ! 0.1086 119:10 ----- 6.26, 7.12 A assign (resid 96 and name HE1) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.0000 121:10 Intra 4.78, 5.02 A assign (resid 77 and name HN) (resid 61 and name HN) 4.15 2.35 2.35 ! 0.0000 122:10 Long 4.47, 4.70 A assign (resid 89 and name HN) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.0000 124:10 Long 2.99, 3.20 A assign (resid 131 and name HN) (resid 53 and name HN) 4.15 2.35 2.35 ! 0.0000 125:10 Long 4.54, 4.69 A assign (resid 53 and name HN) (resid 131 and name HN) 3.65 1.85 1.85 ! 0.0000 126:10 Long 4.54, 4.69 A assign (resid 65 and name HN) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.9303 127:10 Long 4.58, 4.78 A assign (resid 53 and name HN) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.0000 128:10 Seq 4.09, 4.22 A assign (resid 131 and name HN) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.0000 129:10 Long 3.94, 4.29 A assign (resid 83 and name HN) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.0000 130:10 Seq 4.21, 4.33 A assign (resid 113 and name HN) (resid 127 and name HE1) 4.15 2.35 2.35 ! 0.6960 131:10 Ambig 5.18, 6.04 A or (resid 126 and name HN) (resid 127 and name HE1) ! 0.3040 131:10 ----- 5.94, 6.33 A assign (resid 127 and name HN) (resid 127 and name HE1) 3.65 1.85 1.85 ! 0.5526 132:10 Ambig 5.38, 5.65 A or (resid 125 and name HN) (resid 127 and name HE1) ! 0.4474 132:10 ----- 5.57, 6.36 A assign (resid 91 and name HN) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.8288 133:10 Ambig 3.28, 3.79 A or (resid 97 and name HN) (resid 96 and name HN) ! 0.1657 133:10 ----- 4.28, 4.34 A assign (resid 94 and name HN) (resid 96 and name HN) 4.15 2.35 2.35 ! 0.8095 134:10 Ambig 5.58, 6.03 A or (resid 111 and name HN) (resid 96 and name HN) ! 0.1905 134:10 ----- 7.10, 7.29 A assign (resid 54 and name HN) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.0000 135:10 Seq 4.09, 4.22 A assign (resid 85 and name HN) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.0000 136:10 Long 3.71, 4.15 A assign (resid 55 and name HN) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.0000 137:10 Long 3.91, 4.25 A assign (resid 54 and name HN) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.0000 138:10 Long 4.65, 4.87 A assign (resid 130 and name HN) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.0000 139:10 Seq 4.33, 4.43 A assign (resid 101 and name HN) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.0000 141:10 Long 2.93, 3.56 A assign (resid 99 and name HN) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.0000 142:10 Long 3.01, 3.17 A assign (resid 125 and name HN) (resid 126 and name HN) 3.15 1.35 1.35 ! 0.4861 143:10 Ambig 4.30, 4.42 A or (resid 127 and name HN) (resid 126 and name HN) ! 0.3775 143:10 ----- 4.48, 4.51 A or (resid 124 and name HN) (resid 126 and name HN) ! 0.1364 143:10 ----- 5.31, 5.79 A assign (resid 55 and name HN) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.0000 144:10 Seq 4.09, 4.18 A assign (resid 129 and name HN) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.0000 145:10 Long 2.87, 3.14 A assign (resid 85 and name HN) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.0000 146:10 Seq 4.28, 4.42 A assign (resid 37 and name HN) (resid 37 and name HE1) 3.65 1.85 1.85 ! 0.9240 148:10 Intra 4.42, 4.85 A assign (resid 127 and name HZ2) (resid 127 and name HE1) 2.65 0.85 0.85 ! 0.0000 149:10 Intra 2.79, 2.81 A assign (resid 95 and name HN) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.0000 150:10 Seq 4.22, 4.36 A assign (resid 85 and name HD*) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.0000 151:10 Long 2.84, 5.24 A assign (resid 52 and name HN) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.5765 152:10 Ambig 4.41, 4.45 A or (resid 84 and name HN) (resid 53 and name HN) ! 0.4235 152:10 ----- 4.64, 4.74 A assign (resid 84 and name HN) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.9545 153:10 Seq 4.21, 4.33 A assign (resid 52 and name HN) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.0000 155:10 Long 3.07, 3.34 A assign (resid 130 and name HD*) (resid 131 and name HN) 3.65 1.85 1.85 ! 0.0000 156:10 Seq 3.84, 5.02 A assign (resid 130 and name HD*) (resid 54 and name HN) 4.15 2.35 2.35 ! 0.0000 159:10 Long 5.41, 6.01 A assign (resid 62 and name HN) (resid 61 and name HN) 3.65 1.85 1.85 ! 0.0000 160:10 Seq 4.25, 4.44 A assign (resid 37 and name HH2) (resid 37 and name HE1) 3.65 1.85 1.85 ! 0.7399 161:10 Ambig 4.92, 4.94 A or (resid 37 and name HZ3) (resid 37 and name HE1) ! 0.2601 161:10 ----- 5.85, 5.88 A assign (resid 127 and name HD1) (resid 127 and name HE1) 2.30 0.50 0.50 ! 0.0000 162:10 Intra 2.55, 2.57 A assign (resid 127 and name HZ3) (resid 127 and name HE1) 4.15 2.35 2.35 ! 0.0000 163:10 Intra 5.87, 5.88 A assign (resid 37 and name HH2) (resid 96 and name HN) 4.15 2.35 2.35 ! 0.6228 164:10 Ambig 5.20, 6.04 A or (resid 112 and name HN) (resid 96 and name HN) ! 0.2616 164:10 ----- 6.00, 6.35 A or (resid 96 and name HZ2) (resid 96 and name HN) ! 0.1156 164:10 ----- 6.88, 7.16 A assign (resid 96 and name HD1) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.0000 165:10 Intra 2.47, 2.69 A assign (resid 85 and name HE*) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.0000 166:10 Long 2.94, 5.49 A assign (resid 53 and name HD*) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.8593 167:10 Ambig 4.47, 4.81 A or (resid 51 and name HN) (resid 53 and name HN) ! 0.1407 167:10 ----- 6.04, 6.22 A assign (resid 53 and name HD*) (resid 83 and name HN) 4.15 2.35 2.35 ! 0.0000 168:10 Long 3.64, 5.34 A assign (resid 53 and name HD*) (resid 131 and name HN) 3.65 1.85 1.85 ! 0.8253 170:10 Ambig 4.39, 6.12 A or (resid 130 and name HE*) (resid 131 and name HN) ! 0.1145 170:10 ----- 6.11, 7.05 A assign (resid 85 and name HE*) (resid 131 and name HN) 3.65 1.85 1.85 ! 0.0000 171:10 Long 3.54, 5.61 A assign (resid 99 and name HE*) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.6655 173:10 Ambig 4.66, 5.54 A or (resid 108 and name HE*) (resid 107 and name HN) ! 0.3345 173:10 ----- 5.22, 6.48 A assign (resid 128 and name HN) (resid 126 and name HN) 3.65 1.85 1.85 ! 0.0000 174:10 Mid 4.69, 5.03 A assign (resid 130 and name HE*) (resid 126 and name HN) 4.15 2.35 2.35 ! 0.5533 175:10 Ambig 5.06, 7.51 A or (resid 127 and name HD1) (resid 126 and name HN) ! 0.4467 175:10 ----- 5.24, 5.92 A assign (resid 53 and name HD*) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.9828 178:10 Seq 3.29, 4.06 A assign (resid 85 and name HE*) (resid 54 and name HN) 4.15 2.35 2.35 ! 0.0000 179:10 Long 4.98, 7.53 A assign (resid 76 and name HD22) (resid 61 and name HN) 4.15 2.35 2.35 ! 0.5526 181:10 Ambig 5.78, 6.49 A or (resid 127 and name HZ3) (resid 61 and name HN) ! 0.4474 181:10 ----- 5.99, 7.34 A assign (resid 99 and name HD*) (resid 84 and name HN) 4.15 2.35 2.35 ! 0.0000 182:10 Long 5.10, 6.47 A assign (resid 89 and name HA) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.8489 183:10 Ambig 4.60, 4.75 A or (resid 46 and name HA) (resid 96 and name HN) ! 0.1009 183:10 ----- 6.55, 6.75 A assign (resid 88 and name HA) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.0000 184:10 Long 4.84, 5.04 A assign (resid 127 and name HA) (resid 127 and name HE1) 3.65 1.85 1.85 ! 0.0000 187:10 Intra 4.79, 4.86 A assign (resid 96 and name HA) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.9378 188:10 Intra 2.90, 2.93 A assign (resid 95 and name HA) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.8274 189:10 Ambig 2.09, 2.19 A or (resid 90 and name HA) (resid 96 and name HN) ! 0.1726 189:10 ----- 2.71, 3.02 A assign (resid 130 and name HA) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.0000 190:10 Long 4.88, 5.09 A assign (resid 52 and name HA) (resid 53 and name HN) 2.65 0.85 0.85 ! 0.9855 191:10 Seq 2.17, 2.24 A assign (resid 82 and name HA) (resid 83 and name HN) 2.65 0.85 0.85 ! 0.9902 193:10 Seq 2.11, 2.18 A assign (resid 130 and name HA) (resid 131 and name HN) 2.65 0.85 0.85 ! 0.0000 195:10 Seq 2.11, 2.16 A assign (resid 53 and name HA) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.0000 196:10 Long 2.80, 3.13 A assign (resid 108 and name HA) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.9367 198:10 Seq 4.83, 4.97 A assign (resid 100 and name HA) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.0000 199:10 Long 2.59, 3.12 A assign (resid 98 and name HA2) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.0000 200:10 Long 4.36, 4.59 A assign (resid 127 and name HA) (resid 126 and name HN) 4.15 2.35 2.35 ! 0.0000 202:10 Seq 4.97, 5.05 A assign (resid 130 and name HA) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.0000 203:10 Long 3.12, 3.43 A assign (resid 53 and name HA) (resid 54 and name HN) 2.30 0.50 0.50 ! 0.0000 204:10 Seq 2.08, 2.12 A assign (resid 76 and name HA) (resid 61 and name HN) 3.65 1.85 1.85 ! 0.9162 206:10 Long 4.54, 4.81 A assign (resid 62 and name HA) (resid 61 and name HN) 4.15 2.35 2.35 ! 0.0000 207:10 Seq 4.95, 5.18 A assign (resid 85 and name HA) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.0000 208:10 Seq 4.70, 4.96 A assign (resid 52 and name HA) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.8268 209:10 Ambig 4.41, 4.62 A or (resid 82 and name HA) (resid 84 and name HN) ! 0.1732 209:10 ----- 5.72, 5.99 A assign (resid 118 and name HA) (resid 37 and name HE1) 3.65 1.85 1.85 ! 0.8049 212:10 Ambig 3.84, 4.37 A or (resid 37 and name HA) (resid 37 and name HE1) ! 0.1135 212:10 ----- 5.32, 5.51 A assign (resid 119 and name HA) (resid 37 and name HE1) 3.65 1.85 1.85 ! 0.9809 213:10 Long 2.27, 2.88 A assign (resid 110 and name HA) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.9253 217:10 Long 4.73, 5.05 A assign (resid 84 and name HA) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.0000 218:10 Long 3.02, 3.18 A assign (resid 83 and name HA) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.7955 219:10 Ambig 4.67, 4.74 A or (resid 51 and name HA) (resid 53 and name HN) ! 0.1392 219:10 ----- 6.24, 6.34 A assign (resid 84 and name HA) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.0000 220:10 Seq 4.71, 4.78 A assign (resid 83 and name HA) (resid 83 and name HN) 2.65 0.85 0.85 ! 0.5550 221:10 Ambig 2.93, 2.94 A or (resid 54 and name HA) (resid 83 and name HN) ! 0.4450 221:10 ----- 3.04, 3.37 A assign (resid 131 and name HA) (resid 131 and name HN) 2.65 0.85 0.85 ! 0.9781 223:10 Intra 2.88, 2.91 A assign (resid 106 and name HA) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.8766 225:10 Ambig 2.08, 2.16 A or (resid 107 and name HA) (resid 107 and name HN) ! 0.1202 225:10 ----- 2.90, 2.92 A assign (resid 126 and name HA) (resid 126 and name HN) 3.15 1.35 1.35 ! 0.9941 228:10 Intra 2.90, 2.91 A assign (resid 54 and name HA) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.9436 229:10 Intra 2.92, 2.94 A assign (resid 60 and name HA) (resid 61 and name HN) 2.65 0.85 0.85 ! 0.9989 231:10 Seq 2.11, 2.17 A assign (resid 61 and name HA) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.9841 232:10 Intra 2.82, 2.85 A assign (resid 84 and name HA) (resid 84 and name HN) 3.15 1.35 1.35 ! 0.9926 233:10 Intra 2.88, 2.90 A assign (resid 83 and name HA) (resid 84 and name HN) 2.65 0.85 0.85 ! 0.0000 234:10 Seq 2.10, 2.17 A assign (resid 127 and name HB2) (resid 127 and name HE1) 3.65 1.85 1.85 ! 0.0000 235:10 Intra 5.26, 5.28 A assign (resid 112 and name HA) (resid 127 and name HE1) 4.15 2.35 2.35 ! 0.0000 236:10 Long 5.23, 5.84 A assign (resid 96 and name HB2) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.0000 237:10 Intra 2.45, 2.57 A assign (resid 52 and name HB) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.0000 238:10 Seq 3.46, 3.86 A assign (resid 82 and name HB) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.0000 239:10 Seq 4.24, 4.32 A assign (resid 52 and name HB) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.0000 240:10 Long 2.98, 3.53 A assign (resid 130 and name HB2) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.0000 241:10 Seq 3.87, 4.12 A assign (resid 125 and name HA) (resid 126 and name HN) 2.30 0.50 0.50 ! 0.9995 243:10 Seq 2.04, 2.08 A assign (resid 128 and name HA*) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.8419 245:10 Ambig 4.48, 5.06 A or (resid 82 and name HB) (resid 54 and name HN) ! 0.1581 245:10 ----- 5.92, 7.39 A assign (resid 99 and name HB1) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.7669 247:10 Ambig 4.50, 4.82 A or (resid 86 and name HB2) (resid 85 and name HN) ! 0.2331 247:10 ----- 5.49, 6.23 A assign (resid 110 and name HD2) (resid 61 and name HN) 3.65 1.85 1.85 ! 0.0000 248:10 Long 5.09, 5.30 A assign (resid 82 and name HB) (resid 84 and name HN) 4.15 2.35 2.35 ! 0.7015 249:10 Ambig 5.71, 6.21 A or (resid 85 and name HB2) (resid 84 and name HN) ! 0.2985 249:10 ----- 6.59, 6.93 A assign (resid 96 and name HB1) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.0000 251:10 Intra 3.63, 3.71 A assign (resid 89 and name HB1) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.0000 252:10 Long 4.37, 4.71 A assign (resid 53 and name HB1) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.9966 253:10 Intra 2.51, 2.59 A assign (resid 53 and name HB2) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.0000 254:10 Intra 2.99, 3.16 A assign (resid 53 and name HB1) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.0000 255:10 Long 3.39, 3.67 A assign (resid 53 and name HB2) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.0000 256:10 Long 4.97, 5.17 A assign (resid 130 and name HB1) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.9838 258:10 Seq 2.78, 3.15 A assign (resid 106 and name HD2) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.0000 259:10 Seq 2.62, 3.62 A assign (resid 100 and name HB2) (resid 107 and name HN) 4.15 2.35 2.35 ! 0.8023 260:10 Ambig 4.80, 5.67 A or (resid 108 and name HB2) (resid 107 and name HN) ! 0.1977 260:10 ----- 6.07, 6.33 A assign (resid 100 and name HB1) (resid 107 and name HN) 4.15 2.35 2.35 ! 0.0000 261:10 Long 4.60, 5.61 A assign (resid 53 and name HB1) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.8535 263:10 Ambig 4.11, 4.22 A or (resid 130 and name HB1) (resid 54 and name HN) ! 0.1465 263:10 ----- 5.52, 5.90 A assign (resid 53 and name HB2) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.6941 264:10 Ambig 4.07, 4.19 A or (resid 131 and name HE*) (resid 54 and name HN) ! 0.3059 264:10 ----- 4.67, 7.29 A assign (resid 99 and name HB1) (resid 84 and name HN) 4.15 2.35 2.35 ! 0.0000 266:10 Long 4.92, 5.52 A assign (resid 119 and name HB1) (resid 37 and name HE1) 3.15 1.35 1.35 ! 0.9321 267:10 Long 1.86, 2.97 A assign (resid 125 and name HB) (resid 127 and name HE1) 3.15 1.35 1.35 ! 0.9812 268:10 Mid 3.41, 3.99 A assign (resid 108 and name HB1) (resid 96 and name HN) 4.15 2.35 2.35 ! 0.0000 271:10 Long 5.65, 5.87 A assign (resid 91 and name HB1) (resid 96 and name HN) 4.15 2.35 2.35 ! 0.0000 273:10 Long 4.45, 5.08 A assign (resid 84 and name HB) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.0000 274:10 Long 4.64, 5.03 A assign (resid 83 and name HB) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.8324 275:10 Ambig 3.42, 3.81 A or (resid 131 and name HB1) (resid 53 and name HN) ! 0.1431 275:10 ----- 4.59, 6.11 A assign (resid 51 and name HB*) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.6072 276:10 Ambig 5.78, 6.46 A or (resid 97 and name HB) (resid 53 and name HN) ! 0.3928 276:10 ----- 6.22, 6.74 A assign (resid 84 and name HB) (resid 83 and name HN) 4.15 2.35 2.35 ! 0.0000 277:10 Seq 5.64, 5.76 A assign (resid 83 and name HB) (resid 83 and name HN) 2.65 0.85 0.85 ! 0.9916 278:10 Intra 2.45, 2.60 A assign (resid 81 and name HB*) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.0000 279:10 Mid 4.90, 5.62 A assign (resid 131 and name HB2) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.9917 280:10 Intra 2.48, 2.81 A assign (resid 131 and name HB1) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.9867 281:10 Intra 2.59, 3.32 A assign (resid 106 and name HB2) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.9518 283:10 Seq 4.32, 4.46 A assign (resid 106 and name HB1) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.6586 284:10 Ambig 4.16, 4.33 A or (resid 106 and name HG2) (resid 107 and name HN) ! 0.3207 284:10 ----- 4.69, 5.06 A assign (resid 125 and name HB) (resid 126 and name HN) 3.15 1.35 1.35 ! 0.8770 285:10 Ambig 4.06, 4.24 A or (resid 123 and name HB2) (resid 126 and name HN) ! 0.1230 285:10 ----- 5.63, 6.32 A assign (resid 126 and name HB*) (resid 126 and name HN) 2.65 0.85 0.85 ! 0.0000 286:10 Intra 2.44, 2.98 A assign (resid 129 and name HB) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.7905 287:10 Ambig 3.29, 3.59 A or (resid 131 and name HB2) (resid 54 and name HN) ! 0.2095 287:10 ----- 4.11, 4.98 A assign (resid 54 and name HB) (resid 54 and name HN) 2.65 0.85 0.85 ! 0.9481 288:10 Intra 2.51, 2.61 A assign (resid 61 and name HB) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.9765 289:10 Intra 2.46, 2.90 A assign (resid 60 and name HB) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.9775 290:10 Seq 4.04, 4.17 A assign (resid 84 and name HB) (resid 84 and name HN) 2.65 0.85 0.85 ! 0.0000 291:10 Intra 2.74, 2.87 A assign (resid 83 and name HB) (resid 84 and name HN) 3.15 1.35 1.35 ! 0.0000 292:10 Seq 3.88, 4.14 A assign (resid 95 and name HG12) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.9889 296:10 Seq 2.54, 2.96 A assign (resid 95 and name HG2*) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.3618 297:10 Ambig 3.94, 4.86 A or (resid 88 and name HG1*) (resid 96 and name HN) ! 0.2713 297:10 ----- 4.13, 5.12 A or (resid 90 and name HG11) (resid 96 and name HN) ! 0.2309 297:10 ----- 4.24, 4.74 A or (resid 95 and name HD1*) (resid 96 and name HN) ! 0.1360 297:10 ----- 4.63, 5.19 A assign (resid 54 and name HG2*) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.8995 298:10 Ambig 4.41, 5.31 A or (resid 83 and name HD1*) (resid 53 and name HN) ! 0.1005 298:10 ----- 6.36, 7.05 A assign (resid 52 and name HG2*) (resid 53 and name HN) 2.65 0.85 0.85 ! 0.9668 299:10 Seq 2.31, 3.20 A assign (resid 83 and name HG12) (resid 83 and name HN) 2.30 0.50 0.50 ! 0.5623 300:10 Ambig 2.68, 2.91 A or (resid 52 and name HG2*) (resid 83 and name HN) ! 0.2232 300:10 ----- 3.13, 4.10 A or (resid 82 and name HG2*) (resid 83 and name HN) ! 0.1935 300:10 ----- 3.20, 4.04 A assign (resid 83 and name HG11) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.8897 301:10 Ambig 4.03, 4.19 A or (resid 84 and name HG1*) (resid 83 and name HN) ! 0.0762 301:10 ----- 6.07, 7.03 A assign (resid 83 and name HD1*) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.8151 302:10 Ambig 3.87, 4.70 A or (resid 54 and name HG1*) (resid 83 and name HN) ! 0.1849 302:10 ----- 4.95, 6.15 A assign (resid 51 and name HB*) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.0000 303:10 Long 3.69, 4.96 A assign (resid 131 and name HG*) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.0000 304:10 Intra 2.77, 4.03 A assign (resid 52 and name HG2*) (resid 131 and name HN) 3.15 1.35 1.35 ! 0.8942 305:10 Ambig 4.36, 5.41 A or (resid 82 and name HG2*) (resid 131 and name HN) ! 0.1058 305:10 ----- 6.22, 7.65 A assign (resid 129 and name HG1*) (resid 131 and name HN) 3.65 1.85 1.85 ! 0.9693 306:10 Mid 4.31, 5.70 A assign (resid 54 and name HG2*) (resid 131 and name HN) 3.65 1.85 1.85 ! 0.0000 307:10 Long 3.92, 5.44 A assign (resid 106 and name HG1) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.0000 308:10 Seq 3.23, 3.66 A assign (resid 107 and name HB) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.9645 310:10 Intra 2.47, 2.60 A assign (resid 112 and name HG1) (resid 126 and name HN) 4.15 2.35 2.35 ! 0.8144 312:10 Ambig 3.18, 5.62 A or (resid 112 and name HB1) (resid 126 and name HN) ! 0.1856 312:10 ----- 4.07, 4.65 A assign (resid 125 and name HG1*) (resid 126 and name HN) 2.65 0.85 0.85 ! 0.9227 313:10 Seq 2.80, 3.64 A assign (resid 52 and name HG2*) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.5330 315:10 Ambig 4.04, 5.43 A or (resid 82 and name HG2*) (resid 54 and name HN) ! 0.4670 315:10 ----- 4.13, 6.12 A assign (resid 54 and name HG2*) (resid 54 and name HN) 2.65 0.85 0.85 ! 0.0000 316:10 Intra 2.42, 3.41 A assign (resid 60 and name HG2*) (resid 61 and name HN) 2.65 0.85 0.85 ! 0.9861 317:10 Seq 2.75, 3.57 A assign (resid 61 and name HG1*) (resid 61 and name HN) 2.30 0.50 0.50 ! 0.5947 318:10 Ambig 2.06, 3.06 A or (resid 61 and name HG2*) (resid 61 and name HN) ! 0.4049 318:10 ----- 2.19, 4.29 A assign (resid 84 and name HG1*) (resid 84 and name HN) 2.65 0.85 0.85 ! 0.9915 319:10 Intra 1.98, 2.94 A assign (resid 118 and name HB2) (resid 37 and name HE1) 4.15 2.35 2.35 ! 0.7503 321:10 Ambig 3.89, 5.47 A or (resid 118 and name HB2) (resid 45 and name HE1) ! 0.2497 321:10 ----- 4.67, 5.89 A assign (resid 111 and name HG2*) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.0000 324:10 Long 4.58, 5.43 A assign (resid 97 and name HG2*) (resid 96 and name HN) 4.15 2.35 2.35 ! 0.0000 325:10 Seq 4.90, 5.82 A assign (resid 97 and name HG2*) (resid 53 and name HN) 4.15 2.35 2.35 ! 0.0000 326:10 Long 5.67, 7.14 A assign (resid 83 and name HG2*) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.6802 327:10 Ambig 4.08, 5.34 A or (resid 97 and name HD1*) (resid 53 and name HN) ! 0.3198 327:10 ----- 4.62, 5.23 A assign (resid 83 and name HG2*) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.8398 328:10 Ambig 4.20, 4.64 A or (resid 97 and name HD1*) (resid 83 and name HN) ! 0.1602 328:10 ----- 5.54, 6.13 A assign (resid 107 and name HG2*) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.0000 329:10 Intra 2.39, 3.43 A assign (resid 83 and name HD1*) (resid 84 and name HN) 3.15 1.35 1.35 ! 0.0000 330:10 Seq 3.67, 4.67 A assign (resid 83 and name HG2*) (resid 84 and name HN) 3.15 1.35 1.35 ! 0.9944 331:10 Seq 2.50, 3.46 A assign (resid 67 and name HB*) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.8687 332:10 Ambig 4.84, 5.56 A or (resid 110 and name HB1) (resid 96 and name HN) ! 0.1313 332:10 ----- 6.64, 7.05 A assign (resid 90 and name HD1*) (resid 96 and name HN) 4.15 2.35 2.35 ! 0.0000 333:10 Long 5.93, 6.72 A assign (resid 96 and name HN) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.8105 334:10 Ambig 3.28, 3.79 A or (resid 92 and name HN) (resid 91 and name HN) ! 0.1895 334:10 ----- 4.17, 4.31 A assign (resid 96 and name HE1) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.0000 335:10 Long 2.61, 3.32 A assign (resid 53 and name HN) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.0000 336:10 Long 3.71, 4.15 A assign (resid 83 and name HN) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 337:10 Long 3.91, 4.25 A assign (resid 53 and name HN) (resid 51 and name HN) 4.15 2.35 2.35 ! 0.0000 338:10 Mid 6.04, 6.22 A assign (resid 107 and name HN) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.9244 339:10 Long 2.93, 3.56 A assign (resid 94 and name HN) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.0000 340:10 Mid 3.61, 3.73 A assign (resid 54 and name HN) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.9701 341:10 Seq 4.09, 4.18 A assign (resid 82 and name HN) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 342:10 Long 4.79, 4.92 A assign (resid 17 and name HN) (resid 18 and name HN) 3.65 1.85 1.85 ! 0.0000 344:10 Seq 1.92, 3.28 A assign (resid 18 and name HN) (resid 17 and name HN) 3.65 1.85 1.85 ! 0.0000 346:10 Seq 1.92, 3.28 A assign (resid 88 and name HN) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.9299 347:10 Long 3.32, 3.67 A assign (resid 85 and name HN) (resid 51 and name HN) 3.15 1.35 1.35 ! 0.9596 348:10 Long 2.89, 3.07 A assign (resid 84 and name HN) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.5413 349:10 Ambig 4.28, 4.42 A or (resid 52 and name HN) (resid 85 and name HN) ! 0.2942 349:10 ----- 4.74, 4.87 A or (resid 87 and name HN) (resid 85 and name HN) ! 0.1645 349:10 ----- 5.22, 5.67 A assign (resid 85 and name HD*) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.0000 350:10 Intra 2.74, 3.51 A assign (resid 105 and name HN) (resid 101 and name HN) 3.65 1.85 1.85 ! 0.0000 351:10 Mid 3.09, 3.39 A assign (resid 103 and name HN) (resid 101 and name HN) 3.65 1.85 1.85 ! 0.0000 352:10 Mid 4.16, 4.58 A assign (resid 80 and name HN) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 353:10 Long 3.75, 4.29 A assign (resid 81 and name HN) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 354:10 Long 3.44, 3.75 A assign (resid 80 and name HN) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.0000 355:10 Seq 4.43, 4.55 A assign (resid 81 and name HN) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.7747 357:10 Ambig 4.48, 4.75 A or (resid 76 and name HD21) (resid 79 and name HN) ! 0.2253 357:10 ----- 5.51, 6.36 A assign (resid 87 and name HN) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.5094 358:10 Ambig 3.75, 4.38 A or (resid 50 and name HN) (resid 49 and name HN) ! 0.4906 358:10 ----- 3.78, 3.94 A assign (resid 85 and name HD*) (resid 49 and name HN) 4.15 2.35 2.35 ! 0.0000 359:10 Long 4.16, 6.71 A assign (resid 50 and name HN) (resid 51 and name HN) 3.15 1.35 1.35 ! 0.7974 360:10 Ambig 3.88, 4.23 A or (resid 87 and name HN) (resid 51 and name HN) ! 0.2026 360:10 ----- 4.87, 5.77 A assign (resid 50 and name HD21) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.0000 361:10 Seq 2.71, 4.15 A assign (resid 85 and name HD*) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.0000 362:10 Long 3.33, 4.28 A assign (resid 51 and name HN) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.9946 363:10 Long 2.89, 3.07 A assign (resid 85 and name HE*) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.8435 364:10 Ambig 4.23, 4.86 A or (resid 99 and name HD*) (resid 85 and name HN) ! 0.1565 364:10 ----- 5.60, 6.91 A assign (resid 99 and name HD*) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.9521 365:10 Mid 3.41, 5.55 A assign (resid 96 and name HD1) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.0000 366:10 Long 1.84, 2.15 A assign (resid 55 and name HD22) (resid 55 and name HN) 4.15 2.35 2.35 ! 0.0000 369:10 Intra 5.79, 5.86 A assign (resid 76 and name HD22) (resid 79 and name HN) 4.15 2.35 2.35 ! 0.0000 370:10 Mid 4.64, 5.34 A assign (resid 51 and name HN) (resid 49 and name HN) 4.15 2.35 2.35 ! 0.0000 371:10 Mid 5.47, 5.77 A assign (resid 85 and name HE*) (resid 49 and name HN) 4.15 2.35 2.35 ! 0.0000 373:10 Long 4.72, 7.35 A assign (resid 85 and name HE*) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.0000 374:10 Long 3.67, 4.57 A assign (resid 89 and name HA) (resid 91 and name HN) 4.15 2.35 2.35 ! 0.8370 376:10 Ambig 5.49, 5.75 A or (resid 46 and name HA) (resid 91 and name HN) ! 0.1630 376:10 ----- 7.21, 7.46 A assign (resid 85 and name HA) (resid 85 and name HN) 2.65 0.85 0.85 ! 0.8528 378:10 Ambig 2.89, 2.92 A or (resid 50 and name HA) (resid 85 and name HN) ! 0.0980 378:10 ----- 4.14, 4.40 A assign (resid 52 and name HA) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.9974 379:10 Long 2.87, 3.04 A assign (resid 100 and name HA) (resid 101 and name HN) 2.30 0.50 0.50 ! 0.0000 382:10 Seq 2.00, 2.09 A assign (resid 99 and name HA) (resid 101 and name HN) 4.15 2.35 2.35 ! 0.0000 383:10 Mid 5.56, 5.85 A assign (resid 82 and name HA) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.0000 384:10 Long 3.00, 3.42 A assign (resid 59 and name HA) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.9413 385:10 Long 3.13, 3.47 A assign (resid 86 and name HA) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.7895 387:10 Ambig 3.27, 3.79 A or (resid 50 and name HA) (resid 49 and name HN) ! 0.1952 387:10 ----- 4.13, 4.27 A assign (resid 87 and name HA) (resid 49 and name HN) 2.65 0.85 0.85 ! 0.0000 388:10 Long 2.02, 2.75 A assign (resid 50 and name HA) (resid 51 and name HN) 2.30 0.50 0.50 ! 0.9525 389:10 Seq 2.03, 2.09 A assign (resid 84 and name HA) (resid 85 and name HN) 2.65 0.85 0.85 ! 0.0000 393:10 Seq 2.09, 2.14 A assign (resid 51 and name HA) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.7260 394:10 Ambig 4.78, 4.86 A or (resid 83 and name HA) (resid 85 and name HN) ! 0.2740 394:10 ----- 5.62, 5.91 A assign (resid 101 and name HA) (resid 101 and name HN) 2.65 0.85 0.85 ! 0.0000 395:10 Intra 2.84, 2.88 A assign (resid 104 and name HA2) (resid 101 and name HN) 3.65 1.85 1.85 ! 0.8097 397:10 Ambig 4.16, 4.50 A or (resid 102 and name HA) (resid 101 and name HN) ! 0.1903 397:10 ----- 5.30, 5.70 A assign (resid 54 and name HA) (resid 55 and name HN) 2.65 0.85 0.85 ! 0.9932 398:10 Seq 2.09, 2.15 A assign (resid 78 and name HA) (resid 79 and name HN) 2.30 0.50 0.50 ! 0.8105 399:10 Ambig 2.21, 2.29 A or (resid 79 and name HA) (resid 79 and name HN) ! 0.1853 399:10 ----- 2.83, 2.85 A assign (resid 19 and name HA) (resid 18 and name HN) 4.15 2.35 2.35 ! 0.0000 402:10 Seq 3.71, 4.76 A assign (resid 18 and name HA) (resid 18 and name HN) 3.65 1.85 1.85 ! 0.9642 403:10 Intra 2.18, 2.80 A assign (resid 17 and name HA) (resid 18 and name HN) 2.65 0.85 0.85 ! 0.9353 404:10 Seq 2.05, 2.75 A assign (resid 24 and name HA) (resid 25 and name HN) 3.65 1.85 1.85 ! 0.9784 405:10 Seq 2.12, 2.46 A assign (resid 16 and name HA) (resid 17 and name HN) 2.30 0.50 0.50 ! 0.6098 408:10 Ambig 2.02, 2.54 A or (resid 17 and name HA) (resid 17 and name HN) ! 0.3902 408:10 ----- 2.17, 2.76 A assign (resid 48 and name HD1) (resid 49 and name HN) 4.15 2.35 2.35 ! 0.0000 411:10 Seq 5.35, 5.65 A assign (resid 84 and name HA) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.0000 412:10 Long 4.29, 4.56 A assign (resid 51 and name HA) (resid 51 and name HN) 2.65 0.85 0.85 ! 0.0000 413:10 Intra 2.80, 2.87 A assign (resid 85 and name HB2) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.6881 414:10 Ambig 4.80, 4.94 A or (resid 49 and name HA) (resid 51 and name HN) ! 0.3119 414:10 ----- 5.47, 5.68 A assign (resid 85 and name HB2) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.0000 415:10 Intra 3.69, 3.75 A assign (resid 104 and name HA1) (resid 101 and name HN) 4.15 2.35 2.35 ! 0.0000 416:10 Mid 5.42, 5.75 A assign (resid 80 and name HA*) (resid 55 and name HN) 4.15 2.35 2.35 ! 0.7092 417:10 Ambig 4.24, 5.39 A or (resid 82 and name HB) (resid 55 and name HN) ! 0.2908 417:10 ----- 4.92, 6.07 A assign (resid 59 and name HD1) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.8610 418:10 Ambig 3.67, 4.34 A or (resid 59 and name HD2) (resid 79 and name HN) ! 0.1390 418:10 ----- 4.97, 5.53 A assign (resid 78 and name HD2) (resid 79 and name HN) 4.15 2.35 2.35 ! 0.0000 419:10 Seq 5.32, 5.60 A assign (resid 48 and name HD2) (resid 49 and name HN) 4.15 2.35 2.35 ! 0.0000 421:10 Seq 5.06, 5.35 A assign (resid 106 and name HD2) (resid 101 and name HN) 4.15 2.35 2.35 ! 0.8627 422:10 Ambig 4.98, 5.87 A or (resid 102 and name HB1) (resid 101 and name HN) ! 0.1373 422:10 ----- 6.77, 6.90 A assign (resid 100 and name HB2) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.0000 423:10 Seq 2.91, 4.01 A assign (resid 100 and name HB1) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.0000 424:10 Seq 3.20, 3.80 A assign (resid 91 and name HB2) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.9148 425:10 Intra 2.94, 3.09 A assign (resid 55 and name HB2) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.0000 426:10 Intra 2.56, 2.66 A assign (resid 55 and name HB1) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.0000 427:10 Intra 2.36, 2.55 A assign (resid 78 and name HB2) (resid 79 and name HN) 2.65 0.85 0.85 ! 0.0000 430:10 Seq 2.65, 2.84 A assign (resid 86 and name HB2) (resid 49 and name HN) 4.15 2.35 2.35 ! 0.9680 431:10 Long 4.01, 5.40 A assign (resid 50 and name HB*) (resid 49 and name HN) 4.15 2.35 2.35 ! 0.9584 433:10 Seq 4.39, 5.39 A assign (resid 48 and name HB2) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.7791 434:10 Ambig 3.03, 3.66 A or (resid 86 and name HB1) (resid 49 and name HN) ! 0.1883 434:10 ----- 3.84, 5.47 A assign (resid 86 and name HB2) (resid 51 and name HN) 4.15 2.35 2.35 ! 0.7852 435:10 Ambig 5.38, 6.09 A or (resid 99 and name HB1) (resid 51 and name HN) ! 0.2148 435:10 ----- 6.67, 7.14 A assign (resid 50 and name HB*) (resid 51 and name HN) 3.15 1.35 1.35 ! 0.9637 436:10 Seq 3.01, 4.24 A assign (resid 84 and name HB) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.0000 437:10 Seq 4.12, 4.21 A assign (resid 101 and name HB*) (resid 101 and name HN) 2.65 0.85 0.85 ! 0.0000 438:10 Intra 2.46, 2.93 A assign (resid 92 and name HB*) (resid 91 and name HN) 4.15 2.35 2.35 ! 0.0000 439:10 Seq 6.06, 6.61 A assign (resid 91 and name HB1) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.0000 440:10 Intra 2.43, 2.53 A assign (resid 54 and name HB) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.0000 443:10 Seq 4.11, 4.27 A assign (resid 59 and name HB1) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.9946 444:10 Long 3.03, 3.77 A assign (resid 59 and name HG*) (resid 79 and name HN) 2.65 0.85 0.85 ! 0.9711 445:10 Long 2.30, 3.89 A assign (resid 78 and name HB1) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.9916 446:10 Seq 3.19, 3.48 A assign (resid 17 and name HB) (resid 18 and name HN) 3.65 1.85 1.85 ! 0.9865 447:10 Seq 1.82, 3.71 A assign (resid 18 and name HB*) (resid 18 and name HN) 3.15 1.35 1.35 ! 0.0000 448:10 Intra 2.48, 3.19 A assign (resid 16 and name HB) (resid 17 and name HN) 3.15 1.35 1.35 ! 0.7748 449:10 Ambig 2.11, 3.88 A or (resid 17 and name HB) (resid 17 and name HN) ! 0.2252 449:10 ----- 2.59, 3.31 A assign (resid 87 and name HB2) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.7008 450:10 Ambig 4.02, 4.77 A or (resid 48 and name HG*) (resid 49 and name HN) ! 0.2992 450:10 ----- 4.64, 5.39 A assign (resid 49 and name HB*) (resid 49 and name HN) 2.65 0.85 0.85 ! 0.8416 451:10 Ambig 2.63, 3.20 A or (resid 48 and name HB1) (resid 49 and name HN) ! 0.1584 451:10 ----- 3.47, 3.84 A assign (resid 49 and name HB*) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.6859 452:10 Ambig 4.95, 6.01 A or (resid 84 and name HB) (resid 51 and name HN) ! 0.3141 452:10 ----- 5.64, 5.91 A assign (resid 84 and name HG2*) (resid 85 and name HN) 2.65 0.85 0.85 ! 0.9399 454:10 Seq 2.59, 3.51 A assign (resid 90 and name HG2*) (resid 91 and name HN) 2.65 0.85 0.85 ! 0.9206 456:10 Seq 3.02, 3.77 A assign (resid 81 and name HB*) (resid 55 and name HN) 4.15 2.35 2.35 ! 0.9788 457:10 Long 3.52, 4.76 A assign (resid 83 and name HG12) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 458:10 Long 4.14, 4.75 A assign (resid 44 and name HG2*) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.6491 459:10 Ambig 3.41, 4.50 A or (resid 95 and name HG11) (resid 91 and name HN) ! 0.1845 459:10 ----- 4.20, 5.04 A or (resid 91 and name HG1) (resid 91 and name HN) ! 0.1664 459:10 ----- 4.28, 4.35 A assign (resid 81 and name HB*) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.8307 460:10 Ambig 4.96, 6.00 A or (resid 77 and name HB1) (resid 79 and name HN) ! 0.1693 460:10 ----- 6.47, 6.61 A assign (resid 79 and name HB*) (resid 79 and name HN) 2.30 0.50 0.50 ! 0.9986 461:10 Intra 2.41, 2.89 A assign (resid 18 and name HG*) (resid 18 and name HN) 3.65 1.85 1.85 ! 0.0000 462:10 Intra 2.15, 3.88 A assign (resid 17 and name HG1*) (resid 18 and name HN) 3.65 1.85 1.85 ! 0.5407 463:10 Ambig 1.98, 4.55 A or (resid 17 and name HG2*) (resid 18 and name HN) ! 0.3993 463:10 ----- 2.09, 4.43 A assign (resid 25 and name HB*) (resid 25 and name HN) 3.65 1.85 1.85 ! 0.0000 464:10 Intra 2.43, 3.23 A assign (resid 17 and name HG2*) (resid 17 and name HN) 3.15 1.35 1.35 ! 0.3531 465:10 Ambig 2.10, 3.63 A or (resid 17 and name HG1*) (resid 17 and name HN) ! 0.3484 465:10 ----- 2.10, 4.05 A or (resid 16 and name HG1*) (resid 17 and name HN) ! 0.1708 465:10 ----- 2.36, 4.50 A or (resid 16 and name HG2*) (resid 17 and name HN) ! 0.1277 465:10 ----- 2.48, 4.69 A assign (resid 51 and name HB*) (resid 49 and name HN) 4.15 2.35 2.35 ! 0.6501 466:10 Ambig 6.61, 7.54 A or (resid 97 and name HB) (resid 49 and name HN) ! 0.3499 466:10 ----- 7.33, 7.81 A assign (resid 51 and name HB*) (resid 51 and name HN) 3.15 1.35 1.35 ! 0.0000 469:10 Intra 2.81, 3.42 A assign (resid 84 and name HG2*) (resid 51 and name HN) 3.15 1.35 1.35 ! 0.9658 472:10 Long 3.39, 4.15 A assign (resid 83 and name HG2*) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.7505 473:10 Ambig 3.73, 5.23 A or (resid 97 and name HD1*) (resid 85 and name HN) ! 0.2495 473:10 ----- 4.48, 5.62 A assign (resid 97 and name HG2*) (resid 85 and name HN) 4.15 2.35 2.35 ! 0.0000 474:10 Long 5.63, 6.61 A assign (resid 107 and name HG2*) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.0000 475:10 Long 2.63, 3.94 A assign (resid 54 and name HG1*) (resid 55 and name HN) 2.65 0.85 0.85 ! 0.9869 476:10 Seq 3.04, 3.92 A assign (resid 90 and name HD1*) (resid 91 and name HN) 3.65 1.85 1.85 ! 0.7088 480:10 Ambig 5.64, 6.31 A or (resid 118 and name HG1) (resid 91 and name HN) ! 0.2912 480:10 ----- 6.54, 7.45 A assign (resid 67 and name HB*) (resid 91 and name HN) 3.65 1.85 1.85 ! 0.0000 481:10 Long 4.17, 5.23 A assign (resid 46 and name HN) (resid 40 and name HN) 3.65 1.85 1.85 ! 0.0000 482:10 Long 3.77, 4.06 A assign (resid 46 and name HN) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.0000 483:10 Long 2.49, 2.68 A assign (resid 90 and name HN) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.0000 484:10 Long 4.70, 4.78 A assign (resid 63 and name HN) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.8437 485:10 Ambig 4.82, 4.92 A or (resid 89 and name HN) (resid 109 and name HN) ! 0.1075 485:10 ----- 6.79, 6.93 A assign (resid 65 and name HN) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 486:10 Long 4.02, 4.46 A assign (resid 98 and name HN) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.0000 488:10 Long 3.04, 3.30 A assign (resid 47 and name HN) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.0000 489:10 Seq 4.33, 4.39 A assign (resid 38 and name HN) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.0000 490:10 Long 2.49, 2.68 A assign (resid 40 and name HN) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.0000 491:10 Long 3.77, 4.06 A assign (resid 99 and name HN) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.6279 492:10 Ambig 4.58, 4.88 A or (resid 111 and name HN) (resid 109 and name HN) ! 0.3721 492:10 ----- 4.99, 5.21 A assign (resid 97 and name HN) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9411 493:10 Long 2.64, 2.71 A assign (resid 86 and name HN) (resid 87 and name HN) 2.65 0.85 0.85 ! 0.9894 497:10 Seq 1.83, 1.98 A assign (resid 17 and name HN) (resid 16 and name HN) 3.65 1.85 1.85 ! 0.0000 501:10 Seq 2.25, 3.72 A assign (resid 69 and name HN) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.9601 503:10 Mid 3.71, 3.90 A assign (resid 45 and name HN) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.6202 504:10 Ambig 4.39, 4.46 A or (resid 39 and name HN) (resid 46 and name HN) ! 0.3798 504:10 ----- 4.76, 4.86 A assign (resid 37 and name HE3) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.9784 505:10 Long 2.95, 3.24 A assign (resid 39 and name HN) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.6326 506:10 Ambig 4.25, 4.38 A or (resid 45 and name HN) (resid 40 and name HN) ! 0.3674 506:10 ----- 4.65, 4.74 A assign (resid 44 and name HN) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.7959 507:10 Ambig 3.12, 3.51 A or (resid 40 and name HD21) (resid 40 and name HN) ! 0.2041 507:10 ----- 3.91, 4.62 A assign (resid 42 and name HN) (resid 40 and name HN) 3.65 1.85 1.85 ! 0.5002 508:10 Ambig 4.08, 4.62 A or (resid 40 and name HD22) (resid 40 and name HN) ! 0.4998 508:10 ----- 4.08, 5.50 A assign (resid 37 and name HN) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.5066 509:10 Ambig 4.32, 4.45 A or (resid 39 and name HN) (resid 38 and name HN) ! 0.4934 509:10 ----- 4.34, 4.42 A assign (resid 105 and name HN) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 510:10 Seq 4.41, 4.50 A assign (resid 37 and name HE3) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.9463 511:10 Seq 3.46, 3.87 A assign (resid 30 and name HN) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.0000 512:10 Seq 1.82, 2.57 A assign (resid 120 and name HD21) (resid 120 and name HN) 3.65 1.85 1.85 ! 0.9585 513:10 Intra 2.24, 4.20 A assign (resid 30 and name HN) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.9852 515:10 Seq 2.04, 3.35 A assign (resid 49 and name HN) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.0000 516:10 Long 3.75, 4.38 A assign (resid 85 and name HD*) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.0000 517:10 Mid 2.76, 4.82 A assign (resid 70 and name HN) (resid 71 and name HN) 2.65 0.85 0.85 ! 0.0000 519:10 Seq 2.37, 2.52 A assign (resid 46 and name HD*) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.0000 521:10 Intra 1.97, 3.64 A assign (resid 37 and name HZ3) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.8053 522:10 Ambig 4.48, 4.90 A or (resid 45 and name HZ3) (resid 46 and name HN) ! 0.1947 522:10 ----- 5.67, 6.11 A assign (resid 46 and name HE*) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.0000 523:10 Intra 4.12, 5.12 A assign (resid 96 and name HE3) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.0000 524:10 Long 3.35, 3.59 A assign (resid 46 and name HD*) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.9840 526:10 Long 2.60, 4.97 A assign (resid 46 and name HE*) (resid 40 and name HN) 3.65 1.85 1.85 ! 0.9944 529:10 Long 2.98, 5.40 A assign (resid 105 and name HD21) (resid 106 and name HN) 4.15 2.35 2.35 ! 0.0000 530:10 Seq 2.55, 4.64 A assign (resid 105 and name HD22) (resid 106 and name HN) 4.15 2.35 2.35 ! 0.0000 531:10 Seq 3.69, 5.00 A assign (resid 45 and name HZ3) (resid 38 and name HN) 3.65 1.85 1.85 ! 0.7562 532:10 Ambig 4.68, 5.16 A or (resid 37 and name HZ3) (resid 38 and name HN) ! 0.2438 532:10 ----- 5.66, 6.06 A assign (resid 46 and name HE*) (resid 38 and name HN) 3.65 1.85 1.85 ! 0.0000 533:10 Long 4.64, 5.47 A assign (resid 46 and name HD*) (resid 38 and name HN) 3.65 1.85 1.85 ! 0.0000 535:10 Long 3.62, 4.84 A assign (resid 120 and name HD22) (resid 120 and name HN) 4.15 2.35 2.35 ! 0.0000 536:10 Intra 3.30, 5.13 A assign (resid 51 and name HN) (resid 87 and name HN) 4.15 2.35 2.35 ! 0.0000 537:10 Long 4.87, 5.77 A assign (resid 68 and name HN) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.6887 539:10 Ambig 3.82, 3.96 A or (resid 96 and name HH2) (resid 71 and name HN) ! 0.2129 539:10 ----- 4.65, 5.16 A assign (resid 46 and name HA) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.9257 540:10 Intra 2.90, 2.93 A assign (resid 45 and name HA) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.0000 541:10 Seq 2.15, 2.20 A assign (resid 99 and name HE*) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9950 542:10 Long 2.55, 5.01 A assign (resid 45 and name HA) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.0000 543:10 Long 2.82, 3.11 A assign (resid 46 and name HA) (resid 38 and name HN) 3.65 1.85 1.85 ! 0.8831 544:10 Ambig 4.42, 4.57 A or (resid 89 and name HA) (resid 38 and name HN) ! 0.1169 544:10 ----- 6.20, 6.52 A assign (resid 45 and name HA) (resid 38 and name HN) 3.65 1.85 1.85 ! 0.0000 545:10 Long 3.79, 4.22 A assign (resid 88 and name HA) (resid 87 and name HN) 4.15 2.35 2.35 ! 0.0000 546:10 Seq 4.50, 4.71 A assign (resid 108 and name HA) (resid 109 and name HN) 2.65 0.85 0.85 ! 0.8686 548:10 Ambig 2.06, 2.10 A or (resid 109 and name HA) (resid 109 and name HN) ! 0.1065 548:10 ----- 2.93, 2.94 A assign (resid 98 and name HA2) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.8718 549:10 Ambig 3.76, 4.08 A or (resid 62 and name HA) (resid 109 and name HN) ! 0.1282 549:10 ----- 5.18, 5.48 A assign (resid 40 and name HA) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.0000 550:10 Intra 2.84, 2.91 A assign (resid 100 and name HA) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 552:10 Long 4.23, 4.71 A assign (resid 86 and name HA) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.5314 555:10 Ambig 3.24, 3.39 A or (resid 85 and name HA) (resid 87 and name HN) ! 0.2766 555:10 ----- 3.61, 3.91 A or (resid 50 and name HA) (resid 87 and name HN) ! 0.1130 555:10 ----- 4.20, 5.05 A assign (resid 87 and name HA) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9542 556:10 Intra 2.90, 2.92 A assign (resid 63 and name HA) (resid 71 and name HN) 4.15 2.35 2.35 ! 0.0000 557:10 Long 5.91, 6.25 A assign (resid 70 and name HA) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.0000 558:10 Seq 2.88, 2.97 A assign (resid 39 and name HA) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.9269 559:10 Long 3.15, 3.45 A assign (resid 37 and name HA) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.0000 560:10 Long 3.62, 4.01 A assign (resid 44 and name HA) (resid 46 and name HN) 4.15 2.35 2.35 ! 0.0000 561:10 Mid 5.82, 6.03 A assign (resid 107 and name HA) (resid 109 and name HN) 4.15 2.35 2.35 ! 0.0000 562:10 Mid 5.82, 5.95 A assign (resid 110 and name HD1) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.5853 563:10 Ambig 4.77, 4.84 A or (resid 110 and name HA) (resid 109 and name HN) ! 0.4147 563:10 ----- 5.05, 5.17 A assign (resid 39 and name HA) (resid 40 and name HN) 2.65 0.85 0.85 ! 0.0000 564:10 Seq 2.01, 2.07 A assign (resid 43 and name HA1) (resid 40 and name HN) 4.15 2.35 2.35 ! 0.0000 565:10 Mid 5.81, 6.10 A assign (resid 44 and name HB) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.8938 566:10 Ambig 3.60, 3.81 A or (resid 41 and name HA) (resid 40 and name HN) ! 0.1062 566:10 ----- 5.14, 5.48 A assign (resid 105 and name HA) (resid 106 and name HN) 2.30 0.50 0.50 ! 0.8517 567:10 Ambig 2.11, 2.20 A or (resid 106 and name HA) (resid 106 and name HN) ! 0.1416 567:10 ----- 2.85, 2.89 A assign (resid 37 and name HA) (resid 38 and name HN) 2.65 0.85 0.85 ! 0.0000 568:10 Seq 2.07, 2.15 A assign (resid 31 and name HA) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.9982 570:10 Intra 2.20, 2.77 A assign (resid 30 and name HA) (resid 31 and name HN) 2.65 0.85 0.85 ! 0.7583 571:10 Ambig 2.64, 3.22 A or (resid 29 and name HA) (resid 31 and name HN) ! 0.2417 571:10 ----- 3.19, 4.12 A assign (resid 28 and name HA) (resid 29 and name HN) 2.65 0.85 0.85 ! 0.9002 573:10 Seq 2.16, 2.77 A assign (resid 27 and name HB) (resid 29 and name HN) 4.15 2.35 2.35 ! 0.9069 574:10 Mid 2.69, 4.59 A assign (resid 14 and name HA) (resid 16 and name HN) 4.15 2.35 2.35 ! 0.8633 578:10 Ambig 2.93, 4.78 A or (resid 13 and name HA) (resid 16 and name HN) ! 0.1367 578:10 ----- 3.99, 6.94 A assign (resid 15 and name HA) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.9968 579:10 Seq 2.10, 2.79 A assign (resid 16 and name HA) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.5777 580:10 Ambig 2.23, 2.74 A or (resid 15 and name HB) (resid 16 and name HN) ! 0.4223 580:10 ----- 2.35, 3.83 A assign (resid 71 and name HA) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.0000 581:10 Intra 2.78, 2.85 A assign (resid 69 and name HA) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.9836 582:10 Mid 3.35, 3.63 A assign (resid 46 and name HB2) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.0000 586:10 Intra 3.83, 3.89 A assign (resid 110 and name HD2) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.0000 587:10 Seq 4.89, 4.94 A assign (resid 40 and name HB2) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.0000 588:10 Intra 2.45, 2.91 A assign (resid 43 and name HA2) (resid 40 and name HN) 3.65 1.85 1.85 ! 0.0000 589:10 Mid 4.57, 4.90 A assign (resid 48 and name HD2) (resid 38 and name HN) 4.15 2.35 2.35 ! 0.7120 590:10 Ambig 5.19, 6.07 A or (resid 40 and name HB2) (resid 38 and name HN) ! 0.2880 590:10 ----- 6.04, 6.91 A assign (resid 65 and name HA1) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 591:10 Long 4.56, 5.27 A assign (resid 37 and name HB2) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.0000 592:10 Seq 3.79, 4.07 A assign (resid 48 and name HD1) (resid 38 and name HN) 3.65 1.85 1.85 ! 0.7728 593:10 Ambig 4.66, 5.39 A or (resid 36 and name HB*) (resid 38 and name HN) ! 0.2272 593:10 ----- 5.72, 6.47 A assign (resid 37 and name HB1) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.0000 594:10 Seq 2.69, 3.10 A assign (resid 32 and name HD2) (resid 31 and name HN) 4.15 2.35 2.35 ! 0.9978 595:10 Seq 1.79, 3.25 A assign (resid 32 and name HD1) (resid 31 and name HN) 4.15 2.35 2.35 ! 0.9982 596:10 Seq 2.17, 2.94 A assign (resid 31 and name HD*) (resid 31 and name HN) 4.15 2.35 2.35 ! 0.0000 597:10 Intra 3.03, 4.87 A assign (resid 119 and name HD2) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.9314 598:10 Seq 2.27, 2.57 A assign (resid 28 and name HD2) (resid 29 and name HN) 4.15 2.35 2.35 ! 0.0000 599:10 Seq 2.35, 3.97 A assign (resid 32 and name HD1) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.8209 600:10 Ambig 2.80, 5.02 A or (resid 28 and name HD1) (resid 29 and name HN) ! 0.1633 600:10 ----- 3.67, 4.73 A assign (resid 85 and name HB2) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9960 601:10 Mid 2.50, 2.84 A assign (resid 72 and name HD1) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.0000 603:10 Seq 4.77, 4.89 A assign (resid 72 and name HD2) (resid 71 and name HN) 4.15 2.35 2.35 ! 0.6215 604:10 Ambig 5.09, 5.16 A or (resid 66 and name HB2) (resid 71 and name HN) ! 0.3785 604:10 ----- 5.53, 6.15 A assign (resid 68 and name HB2) (resid 71 and name HN) 2.65 0.85 0.85 ! 0.8107 605:10 Ambig 2.43, 2.64 A or (resid 63 and name HD1) (resid 71 and name HN) ! 0.1401 605:10 ----- 3.25, 4.81 A assign (resid 45 and name HB1) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.6734 606:10 Ambig 2.96, 3.19 A or (resid 37 and name HB1) (resid 46 and name HN) ! 0.3266 606:10 ----- 3.34, 3.73 A assign (resid 46 and name HB1) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.7568 607:10 Ambig 3.05, 3.18 A or (resid 45 and name HB2) (resid 46 and name HN) ! 0.1485 607:10 ----- 4.01, 4.16 A assign (resid 89 and name HB1) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.8064 608:10 Ambig 4.82, 5.47 A or (resid 87 and name HG2) (resid 46 and name HN) ! 0.1936 608:10 ----- 6.11, 6.87 A assign (resid 109 and name HB2) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9568 609:10 Intra 2.82, 2.92 A assign (resid 109 and name HB1) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9913 610:10 Intra 2.54, 2.58 A assign (resid 40 and name HB1) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.9781 611:10 Intra 2.33, 2.56 A assign (resid 106 and name HD2) (resid 106 and name HN) 4.15 2.35 2.35 ! 0.0000 612:10 Intra 4.61, 5.14 A assign (resid 38 and name HE*) (resid 38 and name HN) 4.15 2.35 2.35 ! 0.8427 613:10 Ambig 3.93, 5.77 A or (resid 45 and name HB2) (resid 38 and name HN) ! 0.1212 613:10 ----- 5.43, 5.75 A assign (resid 106 and name HD1) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 614:10 Intra 4.28, 4.63 A assign (resid 105 and name HB2) (resid 106 and name HN) 3.15 1.35 1.35 ! 0.0000 615:10 Seq 2.62, 3.88 A assign (resid 105 and name HB1) (resid 106 and name HN) 3.15 1.35 1.35 ! 0.0000 616:10 Seq 2.68, 3.75 A assign (resid 120 and name HB2) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.0000 617:10 Intra 2.43, 2.64 A assign (resid 120 and name HB1) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.0000 618:10 Intra 2.43, 3.03 A assign (resid 28 and name HB2) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.8654 619:10 Ambig 2.32, 3.72 A or (resid 119 and name HB2) (resid 120 and name HN) ! 0.1320 619:10 ----- 3.18, 3.89 A assign (resid 86 and name HB2) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.6137 620:10 Ambig 3.16, 4.10 A or (resid 98 and name HA1) (resid 87 and name HN) ! 0.2392 620:10 ----- 3.70, 4.03 A or (resid 99 and name HB1) (resid 87 and name HN) ! 0.1085 620:10 ----- 4.22, 4.73 A assign (resid 85 and name HB1) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.8580 621:10 Ambig 4.24, 4.49 A or (resid 50 and name HB*) (resid 87 and name HN) ! 0.1420 621:10 ----- 5.72, 7.17 A assign (resid 86 and name HB1) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9269 622:10 Seq 2.80, 3.54 A assign (resid 70 and name HB1) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.9881 625:10 Seq 3.72, 4.19 A assign (resid 68 and name HB1) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.9327 626:10 Mid 3.14, 3.41 A assign (resid 38 and name HB2) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.0000 628:10 Long 3.45, 4.23 A assign (resid 108 and name HB1) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9687 629:10 Seq 3.10, 3.31 A assign (resid 97 and name HG12) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9961 630:10 Long 2.92, 3.07 A assign (resid 106 and name HB2) (resid 106 and name HN) 3.15 1.35 1.35 ! 0.0000 633:10 Intra 2.38, 2.60 A assign (resid 106 and name HB1) (resid 106 and name HN) 2.65 0.85 0.85 ! 0.9818 634:10 Intra 2.30, 2.51 A assign (resid 38 and name HB2) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.0000 637:10 Intra 2.50, 2.71 A assign (resid 31 and name HG*) (resid 31 and name HN) 2.65 0.85 0.85 ! 0.6478 638:10 Ambig 2.20, 3.82 A or (resid 31 and name HB1) (resid 31 and name HN) ! 0.3522 638:10 ----- 2.43, 3.34 A assign (resid 119 and name HB1) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.6914 639:10 Ambig 4.33, 4.53 A or (resid 118 and name HD1) (resid 120 and name HN) ! 0.2530 639:10 ----- 5.12, 5.54 A assign (resid 32 and name HG*) (resid 31 and name HN) 4.15 2.35 2.35 ! 0.6379 640:10 Ambig 3.66, 4.97 A or (resid 28 and name HG*) (resid 31 and name HN) ! 0.3621 640:10 ----- 4.02, 6.43 A assign (resid 119 and name HG1) (resid 120 and name HN) 3.65 1.85 1.85 ! 0.0000 641:10 Seq 4.41, 4.68 A assign (resid 119 and name HG2) (resid 120 and name HN) 3.15 1.35 1.35 ! 0.5337 642:10 Ambig 3.10, 3.89 A or (resid 28 and name HB1) (resid 29 and name HN) ! 0.4468 642:10 ----- 3.20, 4.26 A assign (resid 87 and name HB2) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9914 644:10 Intra 2.91, 3.10 A assign (resid 87 and name HB1) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9897 645:10 Intra 2.47, 2.63 A assign (resid 97 and name HB) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.0000 646:10 Long 4.28, 4.65 A assign (resid 16 and name HB) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.9587 647:10 Intra 2.56, 3.32 A assign (resid 63 and name HB*) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.9187 648:10 Long 4.41, 5.12 A assign (resid 71 and name HB*) (resid 71 and name HN) 2.65 0.85 0.85 ! 0.9969 649:10 Intra 2.38, 2.88 A assign (resid 38 and name HG*) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.7494 650:10 Ambig 4.71, 5.75 A or (resid 90 and name HB) (resid 46 and name HN) ! 0.2506 650:10 ----- 5.65, 6.06 A assign (resid 38 and name HB1) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.7201 651:10 Ambig 3.76, 4.63 A or (resid 44 and name HG2*) (resid 46 and name HN) ! 0.2602 651:10 ----- 4.46, 5.80 A assign (resid 39 and name HB2) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.5573 652:10 Ambig 4.94, 5.45 A or (resid 39 and name HG2) (resid 46 and name HN) ! 0.1670 652:10 ----- 6.04, 6.44 A or (resid 90 and name HG11) (resid 46 and name HN) ! 0.1407 652:10 ----- 6.21, 6.54 A or (resid 47 and name HB2) (resid 46 and name HN) ! 0.1350 652:10 ----- 6.26, 6.49 A assign (resid 62 and name HG2*) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9448 653:10 Long 3.75, 5.08 A assign (resid 97 and name HG11) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9933 654:10 Long 2.45, 2.62 A assign (resid 107 and name HG1*) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.7948 655:10 Ambig 4.14, 5.39 A or (resid 107 and name HB) (resid 109 and name HN) ! 0.1728 655:10 ----- 5.34, 5.61 A assign (resid 38 and name HG*) (resid 40 and name HN) 3.65 1.85 1.85 ! 0.5865 656:10 Ambig 4.61, 7.07 A or (resid 39 and name HD2) (resid 40 and name HN) ! 0.4135 656:10 ----- 4.89, 5.36 A assign (resid 44 and name HG2*) (resid 40 and name HN) 3.65 1.85 1.85 ! 0.5392 657:10 Ambig 4.74, 5.69 A or (resid 39 and name HD1) (resid 40 and name HN) ! 0.4608 657:10 ----- 4.86, 5.40 A assign (resid 39 and name HG2) (resid 40 and name HN) 2.65 0.85 0.85 ! 0.9323 658:10 Seq 2.64, 3.11 A assign (resid 38 and name HG*) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.0000 659:10 Intra 2.53, 3.86 A assign (resid 106 and name HG1) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 660:10 Intra 4.27, 4.45 A assign (resid 38 and name HB1) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.9935 663:10 Intra 2.55, 3.39 A assign (resid 64 and name HG2*) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 664:10 Long 3.77, 5.15 A assign (resid 29 and name HB*) (resid 31 and name HN) 4.15 2.35 2.35 ! 0.0000 665:10 Mid 3.66, 5.13 A assign (resid 30 and name HG2*) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.0000 666:10 Seq 3.11, 4.79 A assign (resid 118 and name HB1) (resid 120 and name HN) 4.15 2.35 2.35 ! 0.0000 667:10 Mid 4.67, 5.00 A assign (resid 117 and name HG2*) (resid 120 and name HN) 4.15 2.35 2.35 ! 0.0000 669:10 Mid 3.61, 5.38 A assign (resid 29 and name HB*) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.9968 670:10 Intra 2.43, 3.06 A assign (resid 27 and name HG2*) (resid 29 and name HN) 4.15 2.35 2.35 ! 0.9837 671:10 Mid 2.00, 4.88 A assign (resid 88 and name HG2*) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9317 674:10 Seq 4.23, 5.23 A assign (resid 15 and name HG2*) (resid 16 and name HN) 3.65 1.85 1.85 ! 0.0000 675:10 Seq 2.12, 4.31 A assign (resid 16 and name HG2*) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.5764 676:10 Ambig 1.95, 3.54 A or (resid 16 and name HG1*) (resid 16 and name HN) ! 0.4059 676:10 ----- 2.06, 3.81 A assign (resid 69 and name HD2*) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.0000 679:10 Mid 5.46, 6.47 A assign (resid 39 and name HG1) (resid 46 and name HN) 4.15 2.35 2.35 ! 0.5235 680:10 Ambig 5.17, 5.66 A or (resid 118 and name HG2) (resid 46 and name HN) ! 0.4765 680:10 ----- 5.25, 5.77 A assign (resid 97 and name HD1*) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.7707 681:10 Ambig 4.18, 4.89 A or (resid 111 and name HG2*) (resid 109 and name HN) ! 0.2293 681:10 ----- 5.12, 6.35 A assign (resid 97 and name HG2*) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.0000 682:10 Long 4.90, 5.60 A assign (resid 111 and name HG1*) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.0000 683:10 Mid 4.23, 5.17 A assign (resid 39 and name HG1) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.9956 684:10 Seq 2.92, 3.17 A assign (resid 107 and name HG2*) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 685:10 Seq 4.05, 5.15 A assign (resid 47 and name HD1) (resid 38 and name HN) 4.15 2.35 2.35 ! 0.4453 686:10 Ambig 5.58, 6.60 A or (resid 118 and name HG2) (resid 38 and name HN) ! 0.4140 686:10 ----- 5.64, 6.31 A or (resid 39 and name HG1) (resid 38 and name HN) ! 0.1407 686:10 ----- 6.76, 7.08 A assign (resid 118 and name HB2) (resid 120 and name HN) 4.15 2.35 2.35 ! 0.0000 688:10 Mid 4.83, 5.07 A assign (resid 97 and name HD1*) (resid 87 and name HN) 4.15 2.35 2.35 ! 0.0000 690:10 Long 6.15, 7.31 A assign (resid 97 and name HG2*) (resid 87 and name HN) 4.15 2.35 2.35 ! 0.0000 691:10 Long 5.41, 6.56 A assign (resid 118 and name HG1) (resid 46 and name HN) 4.15 2.35 2.35 ! 0.3979 692:10 Ambig 5.83, 6.32 A or (resid 39 and name HB1) (resid 46 and name HN) ! 0.3545 692:10 ----- 5.94, 6.24 A or (resid 90 and name HD1*) (resid 46 and name HN) ! 0.2476 692:10 ----- 6.31, 7.98 A assign (resid 67 and name HB*) (resid 109 and name HN) 4.15 2.35 2.35 ! 0.0000 693:10 Long 5.93, 7.06 A assign (resid 39 and name HB1) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.0000 694:10 Seq 3.95, 4.14 A assign (resid 118 and name HG1) (resid 38 and name HN) 4.15 2.35 2.35 ! 0.6296 695:10 Ambig 5.88, 6.95 A or (resid 39 and name HB1) (resid 38 and name HN) ! 0.3704 695:10 ----- 6.43, 6.60 A assign (resid 118 and name HG1) (resid 120 and name HN) 4.15 2.35 2.35 ! 0.6289 696:10 Ambig 5.19, 5.71 A or (resid 90 and name HD1*) (resid 120 and name HN) ! 0.3711 696:10 ----- 5.66, 6.49 A assign (resid 46 and name HN) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.8880 697:10 Ambig 4.70, 4.78 A or (resid 96 and name HE1) (resid 90 and name HN) ! 0.1120 697:10 ----- 6.64, 7.18 A assign (resid 127 and name HE1) (resid 127 and name HN) 4.15 2.35 2.35 ! 0.0000 698:10 Intra 5.38, 5.65 A assign (resid 37 and name HE1) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.0000 699:10 Intra 4.42, 4.85 A assign (resid 46 and name HN) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.0000 701:10 Long 4.76, 4.86 A assign (resid 77 and name HN) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.0000 702:10 Long 2.92, 3.16 A assign (resid 89 and name HN) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.0000 703:10 Seq 4.20, 4.32 A assign (resid 89 and name HN) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.0000 704:10 Seq 4.22, 4.34 A assign (resid 131 and name HN) (resid 130 and name HN) 3.65 1.85 1.85 ! 0.0000 705:10 Seq 4.33, 4.43 A assign (resid 91 and name HN) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.0000 706:10 Seq 4.09, 4.19 A assign (resid 126 and name HN) (resid 127 and name HN) 3.65 1.85 1.85 ! 0.6289 709:10 Ambig 4.48, 4.51 A or (resid 113 and name HN) (resid 127 and name HN) ! 0.3711 709:10 ----- 4.89, 5.28 A assign (resid 113 and name HN) (resid 125 and name HN) 3.15 1.35 1.35 ! 0.9370 710:10 Long 2.74, 3.49 A assign (resid 38 and name HN) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.0000 711:10 Seq 4.32, 4.45 A assign (resid 35 and name HN) (resid 37 and name HN) 3.15 1.35 1.35 ! 0.7587 712:10 Ambig 2.36, 3.77 A or (resid 9 and name HN) (resid 8 and name HN) ! 0.2413 712:10 ----- 2.86, 4.13 A assign (resid 74 and name HN) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.6246 713:10 Ambig 4.41, 4.49 A or (resid 64 and name HN) (resid 73 and name HN) ! 0.3754 713:10 ----- 4.80, 4.92 A assign (resid 38 and name HN) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.0000 714:10 Seq 4.34, 4.42 A assign (resid 40 and name HN) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.0000 715:10 Seq 4.25, 4.38 A assign (resid 61 and name HN) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.0000 716:10 Seq 4.22, 4.33 A assign (resid 55 and name HN) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.0000 718:10 Long 3.44, 3.75 A assign (resid 79 and name HN) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.9566 719:10 Mid 4.48, 4.75 A assign (resid 56 and name HN) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.0000 720:10 Long 5.37, 5.83 A assign (resid 82 and name HN) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.0000 721:10 Seq 4.39, 4.49 A assign (resid 45 and name HN) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.0000 722:10 Long 2.84, 3.06 A assign (resid 37 and name HE3) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.8644 723:10 Ambig 3.42, 3.94 A or (resid 45 and name HD1) (resid 90 and name HN) ! 0.1356 723:10 ----- 4.66, 5.18 A assign (resid 87 and name HN) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.9529 724:10 Seq 4.14, 4.25 A assign (resid 49 and name HN) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.0000 725:10 Long 3.32, 3.67 A assign (resid 85 and name HD*) (resid 88 and name HN) 4.15 2.35 2.35 ! 0.7204 726:10 Ambig 4.49, 6.77 A or (resid 37 and name HE3) (resid 88 and name HN) ! 0.2135 726:10 ----- 5.50, 6.37 A assign (resid 130 and name HD*) (resid 130 and name HN) 3.15 1.35 1.35 ! 0.0000 728:10 Intra 2.24, 3.68 A assign (resid 127 and name HE3) (resid 127 and name HN) 3.65 1.85 1.85 ! 0.0000 730:10 Intra 2.80, 3.38 A assign (resid 37 and name HD1) (resid 37 and name HN) 2.65 0.85 0.85 ! 0.9936 731:10 Intra 2.21, 2.60 A assign (resid 49 and name HN) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.0000 734:10 Seq 3.78, 3.94 A assign (resid 45 and name HE3) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.5868 738:10 Ambig 3.64, 3.92 A or (resid 76 and name HD21) (resid 60 and name HN) ! 0.2028 738:10 ----- 4.34, 5.71 A or (resid 58 and name HE21) (resid 60 and name HN) ! 0.1799 738:10 ----- 4.43, 6.25 A assign (resid 80 and name HN) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.0000 739:10 Seq 2.17, 2.37 A assign (resid 96 and name HD1) (resid 90 and name HN) 4.15 2.35 2.35 ! 0.0000 742:10 Long 4.58, 5.00 A assign (resid 37 and name HZ3) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.0000 743:10 Long 2.66, 3.04 A assign (resid 46 and name HD*) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.9539 745:10 Long 4.24, 6.29 A assign (resid 37 and name HZ3) (resid 88 and name HN) 4.15 2.35 2.35 ! 0.0000 746:10 Long 4.13, 5.16 A assign (resid 85 and name HE*) (resid 88 and name HN) 4.15 2.35 2.35 ! 0.0000 747:10 Mid 4.59, 7.40 A assign (resid 102 and name HD*) (resid 102 and name HN) 4.15 2.35 2.35 ! 0.0000 749:10 Intra 1.88, 3.38 A assign (resid 53 and name HD*) (resid 130 and name HN) 3.15 1.35 1.35 ! 0.6205 751:10 Ambig 4.08, 6.38 A or (resid 130 and name HE*) (resid 130 and name HN) ! 0.3795 751:10 ----- 4.43, 5.49 A assign (resid 128 and name HN) (resid 127 and name HN) 3.15 1.35 1.35 ! 0.9974 753:10 Seq 2.28, 2.48 A assign (resid 130 and name HE*) (resid 127 and name HN) 3.15 1.35 1.35 ! 0.5292 754:10 Ambig 3.96, 5.89 A or (resid 127 and name HD1) (resid 127 and name HN) ! 0.4358 754:10 ----- 4.09, 4.50 A assign (resid 130 and name HZ) (resid 127 and name HN) 3.65 1.85 1.85 ! 0.6139 755:10 Ambig 4.39, 5.07 A or (resid 127 and name HZ3) (resid 127 and name HN) ! 0.3861 755:10 ----- 4.74, 5.30 A assign (resid 75 and name HN) (resid 73 and name HN) 4.15 2.35 2.35 ! 0.0000 757:10 Mid 5.43, 5.75 A assign (resid 51 and name HN) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.0000 760:10 Seq 3.88, 4.23 A assign (resid 50 and name HD22) (resid 50 and name HN) 4.15 2.35 2.35 ! 0.0000 761:10 Intra 4.62, 5.75 A assign (resid 6 and name HD*) (resid 7 and name HN) 3.65 1.85 1.85 ! 0.8283 763:10 Ambig 3.50, 4.94 A or (resid 45 and name HH2) (resid 39 and name HN) ! 0.1717 763:10 ----- 4.55, 5.07 A assign (resid 55 and name HD21) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.8262 764:10 Ambig 2.92, 3.53 A or (resid 76 and name HD22) (resid 60 and name HN) ! 0.1738 764:10 ----- 3.79, 4.76 A assign (resid 55 and name HD22) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.0000 767:10 Long 4.68, 5.10 A assign (resid 89 and name HA) (resid 90 and name HN) 2.65 0.85 0.85 ! 0.9004 768:10 Seq 2.16, 2.22 A assign (resid 45 and name HA) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.8362 769:10 Ambig 4.49, 4.61 A or (resid 88 and name HA) (resid 90 and name HN) ! 0.1638 769:10 ----- 5.89, 6.16 A assign (resid 46 and name HA) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.5992 770:10 Ambig 4.42, 4.64 A or (resid 89 and name HA) (resid 88 and name HN) ! 0.4008 770:10 ----- 4.72, 4.83 A assign (resid 88 and name HA) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.0000 771:10 Intra 2.93, 2.94 A assign (resid 45 and name HA) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.0000 772:10 Long 4.25, 4.55 A assign (resid 90 and name HA) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.9568 773:10 Intra 2.91, 2.93 A assign (resid 97 and name HA) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.6315 774:10 Ambig 4.97, 5.15 A or (resid 86 and name HA) (resid 88 and name HN) ! 0.3153 774:10 ----- 5.58, 6.14 A assign (resid 87 and name HA) (resid 88 and name HN) 2.65 0.85 0.85 ! 0.9993 775:10 Seq 2.05, 2.18 A assign (resid 130 and name HA) (resid 130 and name HN) 3.15 1.35 1.35 ! 0.0000 776:10 Intra 2.89, 2.92 A assign (resid 53 and name HA) (resid 130 and name HN) 3.65 1.85 1.85 ! 0.0000 777:10 Long 4.81, 4.99 A assign (resid 127 and name HA) (resid 127 and name HN) 3.15 1.35 1.35 ! 0.0000 779:10 Intra 2.91, 2.93 A assign (resid 63 and name HA) (resid 73 and name HN) 4.15 2.35 2.35 ! 0.0000 783:10 Long 4.87, 5.13 A assign (resid 50 and name HA) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.8713 786:10 Ambig 2.90, 2.92 A or (resid 86 and name HA) (resid 50 and name HN) ! 0.1287 786:10 ----- 3.98, 4.52 A assign (resid 76 and name HA) (resid 60 and name HN) 4.15 2.35 2.35 ! 0.9528 787:10 Long 4.56, 4.88 A assign (resid 59 and name HA) (resid 60 and name HN) 2.65 0.85 0.85 ! 0.9975 788:10 Seq 2.12, 2.16 A assign (resid 82 and name HA) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.0000 789:10 Seq 5.17, 5.32 A assign (resid 59 and name HA) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.5987 790:10 Ambig 5.85, 6.24 A or (resid 77 and name HA) (resid 81 and name HN) ! 0.4013 790:10 ----- 6.26, 6.59 A assign (resid 44 and name HA) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.0000 791:10 Long 4.08, 4.52 A assign (resid 49 and name HA) (resid 88 and name HN) 4.15 2.35 2.35 ! 0.5325 795:10 Ambig 5.48, 5.88 A or (resid 85 and name HB2) (resid 88 and name HN) ! 0.4675 795:10 ----- 5.60, 5.93 A assign (resid 101 and name HA) (resid 102 and name HN) 3.65 1.85 1.85 ! 0.0000 797:10 Seq 2.37, 2.50 A assign (resid 102 and name HA) (resid 102 and name HN) 3.65 1.85 1.85 ! 0.9821 798:10 Intra 2.67, 2.76 A assign (resid 129 and name HA) (resid 130 and name HN) 2.65 0.85 0.85 ! 0.9996 799:10 Seq 2.08, 2.18 A assign (resid 8 and name HA) (resid 9 and name HN) 3.15 1.35 1.35 ! 0.0000 802:10 Seq 2.04, 2.35 A assign (resid 10 and name HA*) (resid 9 and name HN) 3.65 1.85 1.85 ! 0.0000 803:10 Seq 4.22, 4.94 A assign (resid 126 and name HA) (resid 127 and name HN) 2.65 0.85 0.85 ! 0.0000 806:10 Seq 2.17, 2.22 A assign (resid 124 and name HA2) (resid 125 and name HN) 2.65 0.85 0.85 ! 0.9431 807:10 Seq 2.84, 3.17 A assign (resid 8 and name HA) (resid 8 and name HN) 2.30 0.50 0.50 ! 0.7531 810:10 Ambig 2.22, 2.84 A or (resid 37 and name HA) (resid 37 and name HN) ! 0.1742 810:10 ----- 2.83, 2.89 A assign (resid 18 and name HA) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.9985 811:10 Seq 2.09, 2.74 A assign (resid 7 and name HA) (resid 8 and name HN) 3.15 1.35 1.35 ! 0.9381 812:10 Seq 2.13, 2.70 A assign (resid 72 and name HA) (resid 73 and name HN) 2.65 0.85 0.85 ! 0.0000 813:10 Seq 2.05, 2.09 A assign (resid 49 and name HA) (resid 50 and name HN) 2.30 0.50 0.50 ! 0.9995 814:10 Seq 2.06, 2.15 A assign (resid 38 and name HA) (resid 39 and name HN) 2.30 0.50 0.50 ! 0.8837 816:10 Ambig 2.19, 2.32 A or (resid 5 and name HA) (resid 7 and name HN) ! 0.1163 816:10 ----- 3.08, 5.33 A assign (resid 60 and name HA) (resid 60 and name HN) 2.65 0.85 0.85 ! 0.8189 817:10 Ambig 2.93, 2.94 A or (resid 78 and name HA) (resid 60 and name HN) ! 0.1195 817:10 ----- 4.03, 4.31 A assign (resid 81 and name HA) (resid 81 and name HN) 2.65 0.85 0.85 ! 0.6083 818:10 Ambig 2.81, 2.87 A or (resid 79 and name HA) (resid 81 and name HN) ! 0.3481 818:10 ----- 3.08, 3.27 A assign (resid 48 and name HD1) (resid 88 and name HN) 4.15 2.35 2.35 ! 0.0000 819:10 Long 5.37, 5.70 A assign (resid 48 and name HD2) (resid 88 and name HN) 4.15 2.35 2.35 ! 0.0000 820:10 Long 5.72, 6.00 A assign (resid 46 and name HB2) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.0000 821:10 Long 3.79, 4.09 A assign (resid 102 and name HB1) (resid 102 and name HN) 3.15 1.35 1.35 ! 0.9083 822:10 Intra 2.42, 2.56 A assign (resid 130 and name HB2) (resid 130 and name HN) 3.15 1.35 1.35 ! 0.0000 823:10 Intra 2.40, 2.46 A assign (resid 20 and name HA*) (resid 19 and name HN) 3.65 1.85 1.85 ! 0.0000 824:10 Seq 3.89, 5.10 A assign (resid 128 and name HA*) (resid 127 and name HN) 3.65 1.85 1.85 ! 0.8802 825:10 Ambig 4.25, 4.71 A or (resid 125 and name HA) (resid 127 and name HN) ! 0.1198 825:10 ----- 5.92, 6.07 A assign (resid 125 and name HA) (resid 125 and name HN) 2.65 0.85 0.85 ! 0.0000 826:10 Intra 2.73, 2.87 A assign (resid 127 and name HB2) (resid 127 and name HN) 3.15 1.35 1.35 ! 0.9968 827:10 Intra 2.48, 2.55 A assign (resid 124 and name HA1) (resid 125 and name HN) 2.65 0.85 0.85 ! 0.0000 828:10 Seq 2.11, 2.17 A assign (resid 127 and name HB1) (resid 127 and name HN) 3.15 1.35 1.35 ! 0.0000 829:10 Intra 3.64, 3.70 A assign (resid 36 and name HB*) (resid 37 and name HN) 3.15 1.35 1.35 ! 0.9954 830:10 Seq 2.19, 3.47 A assign (resid 37 and name HB2) (resid 37 and name HN) 3.15 1.35 1.35 ! 0.9933 832:10 Intra 2.37, 2.45 A assign (resid 37 and name HB1) (resid 37 and name HN) 3.15 1.35 1.35 ! 0.0000 833:10 Intra 3.56, 3.61 A assign (resid 63 and name HD1) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.5441 835:10 Ambig 4.07, 4.83 A or (resid 63 and name HD2) (resid 73 and name HN) ! 0.4559 835:10 ----- 4.19, 5.10 A assign (resid 59 and name HD2) (resid 60 and name HN) 4.15 2.35 2.35 ! 0.7820 836:10 Ambig 5.20, 5.34 A or (resid 127 and name HB2) (resid 60 and name HN) ! 0.2180 836:10 ----- 6.43, 6.95 A assign (resid 78 and name HD2) (resid 60 and name HN) 4.15 2.35 2.35 ! 0.0000 837:10 Long 5.68, 5.79 A assign (resid 80 and name HA*) (resid 81 and name HN) 2.65 0.85 0.85 ! 0.9778 838:10 Seq 3.07, 3.25 A assign (resid 78 and name HD2) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.0000 839:10 Mid 4.72, 5.33 A assign (resid 45 and name HB1) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.7095 840:10 Ambig 4.11, 4.42 A or (resid 37 and name HB1) (resid 90 and name HN) ! 0.2905 840:10 ----- 4.77, 5.93 A assign (resid 89 and name HB2) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.5667 841:10 Ambig 2.70, 3.81 A or (resid 45 and name HB2) (resid 90 and name HN) ! 0.3825 841:10 ----- 2.88, 3.36 A assign (resid 89 and name HB1) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.0000 842:10 Seq 2.67, 3.16 A assign (resid 98 and name HA1) (resid 88 and name HN) 4.15 2.35 2.35 ! 0.6987 843:10 Ambig 5.43, 5.78 A or (resid 86 and name HB2) (resid 88 and name HN) ! 0.3013 843:10 ----- 6.24, 7.38 A assign (resid 46 and name HB1) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.6028 844:10 Ambig 5.36, 5.61 A or (resid 89 and name HB2) (resid 88 and name HN) ! 0.3972 844:10 ----- 5.75, 6.01 A assign (resid 87 and name HG2) (resid 88 and name HN) 2.65 0.85 0.85 ! 0.6345 845:10 Ambig 2.64, 3.17 A or (resid 87 and name HG1) (resid 88 and name HN) ! 0.3655 845:10 ----- 2.90, 3.12 A assign (resid 130 and name HB1) (resid 130 and name HN) 3.15 1.35 1.35 ! 0.9871 846:10 Intra 3.60, 3.64 A assign (resid 19 and name HB*) (resid 19 and name HN) 3.65 1.85 1.85 ! 0.0000 849:10 Intra 2.38, 3.01 A assign (resid 8 and name HB*) (resid 8 and name HN) 2.65 0.85 0.85 ! 0.0000 850:10 Intra 2.40, 3.05 A assign (resid 72 and name HB2) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.9718 851:10 Seq 3.75, 3.91 A assign (resid 50 and name HB*) (resid 50 and name HN) 2.30 0.50 0.50 ! 0.0000 852:10 Intra 2.40, 2.78 A assign (resid 86 and name HB1) (resid 50 and name HN) 4.15 2.35 2.35 ! 0.5001 853:10 Ambig 5.10, 6.99 A or (resid 48 and name HB2) (resid 50 and name HN) ! 0.4999 853:10 ----- 5.10, 5.59 A assign (resid 6 and name HB2) (resid 7 and name HN) 3.15 1.35 1.35 ! 0.5490 854:10 Ambig 2.15, 3.92 A or (resid 6 and name HB1) (resid 7 and name HN) ! 0.4390 854:10 ----- 2.23, 3.28 A assign (resid 55 and name HB1) (resid 60 and name HN) 4.15 2.35 2.35 ! 0.6236 856:10 Ambig 5.37, 5.85 A or (resid 76 and name HB2) (resid 60 and name HN) ! 0.3764 856:10 ----- 5.84, 6.33 A assign (resid 55 and name HB2) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.0000 857:10 Long 3.33, 3.96 A assign (resid 55 and name HB1) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.0000 858:10 Long 2.06, 2.42 A assign (resid 78 and name HB2) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.0000 859:10 Mid 4.12, 4.53 A assign (resid 118 and name HD1) (resid 90 and name HN) 4.15 2.35 2.35 ! 0.0000 860:10 Long 5.65, 6.24 A assign (resid 91 and name HB1) (resid 90 and name HN) 4.15 2.35 2.35 ! 0.0000 862:10 Seq 5.72, 5.96 A assign (resid 87 and name HB2) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.0000 863:10 Seq 4.08, 4.20 A assign (resid 88 and name HB) (resid 88 and name HN) 2.65 0.85 0.85 ! 0.8258 864:10 Ambig 2.50, 2.63 A or (resid 49 and name HB*) (resid 88 and name HN) ! 0.1742 864:10 ----- 3.24, 4.34 A assign (resid 101 and name HB*) (resid 102 and name HN) 3.65 1.85 1.85 ! 0.0000 866:10 Seq 1.96, 3.10 A assign (resid 129 and name HB) (resid 130 and name HN) 3.15 1.35 1.35 ! 0.7449 867:10 Ambig 3.85, 4.06 A or (resid 131 and name HB2) (resid 130 and name HN) ! 0.2551 867:10 ----- 4.60, 5.83 A assign (resid 112 and name HB2) (resid 127 and name HN) 3.65 1.85 1.85 ! 0.0000 869:10 Long 3.51, 4.19 A assign (resid 125 and name HB) (resid 125 and name HN) 2.65 0.85 0.85 ! 0.9932 870:10 Intra 2.49, 2.54 A assign (resid 111 and name HB) (resid 127 and name HN) 3.65 1.85 1.85 ! 0.7947 872:10 Ambig 4.19, 4.54 A or (resid 60 and name HG12) (resid 127 and name HN) ! 0.2053 872:10 ----- 5.26, 6.01 A assign (resid 126 and name HB*) (resid 127 and name HN) 3.15 1.35 1.35 ! 0.0000 873:10 Seq 2.79, 3.71 A assign (resid 73 and name HB) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.9789 874:10 Ambig 2.47, 3.17 A or (resid 72 and name HG1) (resid 73 and name HN) ! 0.0000 874:10 ----- 0.00, 0.00 A or (resid 72 and name HG2) (resid 73 and name HN) ! 0.0000 874:10 ----- 0.00, 0.00 A assign (resid 28 and name HB1) (resid 33 and name HN) 3.65 1.85 1.85 ! 0.7684 875:10 Ambig 2.34, 6.67 A or (resid 119 and name HG2) (resid 33 and name HN) ! 0.1244 875:10 ----- 3.17, 7.92 A or (resid 32 and name HB1) (resid 33 and name HN) ! 0.1072 875:10 ----- 3.25, 4.21 A assign (resid 31 and name HB1) (resid 33 and name HN) 4.15 2.35 2.35 ! 0.5506 876:10 Ambig 3.78, 5.35 A or (resid 31 and name HG*) (resid 33 and name HN) ! 0.4494 876:10 ----- 3.91, 6.35 A assign (resid 64 and name HB) (resid 73 and name HN) 4.15 2.35 2.35 ! 0.0000 877:10 Long 4.86, 5.34 A assign (resid 49 and name HG2) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.7410 878:10 Ambig 3.02, 3.77 A or (resid 49 and name HB*) (resid 50 and name HN) ! 0.2475 878:10 ----- 3.63, 4.22 A assign (resid 7 and name HG*) (resid 7 and name HN) 3.15 1.35 1.35 ! 0.9692 879:10 Intra 2.08, 3.93 A assign (resid 60 and name HB) (resid 60 and name HN) 2.65 0.85 0.85 ! 0.8132 880:10 Ambig 2.57, 2.64 A or (resid 38 and name HB2) (resid 39 and name HN) ! 0.1137 880:10 ----- 3.56, 3.93 A assign (resid 59 and name HB1) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.0000 881:10 Seq 3.30, 3.59 A assign (resid 77 and name HB2) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.0000 882:10 Long 4.10, 4.35 A assign (resid 78 and name HG2) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.9743 883:10 Mid 3.85, 4.30 A assign (resid 77 and name HG) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.9240 885:10 Mid 4.07, 4.42 A assign (resid 90 and name HB) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.9912 886:10 Intra 2.54, 2.65 A assign (resid 44 and name HG2*) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.9571 887:10 Long 2.49, 3.53 A assign (resid 90 and name HG11) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.9413 888:10 Intra 2.60, 2.91 A assign (resid 88 and name HG1*) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.0000 890:10 Intra 4.26, 4.64 A assign (resid 129 and name HG1*) (resid 130 and name HN) 2.65 0.85 0.85 ! 0.9691 891:10 Seq 2.45, 3.37 A assign (resid 9 and name HG*) (resid 9 and name HN) 3.65 1.85 1.85 ! 0.0000 892:10 Intra 2.23, 3.72 A assign (resid 112 and name HB1) (resid 127 and name HN) 3.15 1.35 1.35 ! 0.9153 893:10 Long 2.85, 3.55 A assign (resid 112 and name HG1) (resid 125 and name HN) 4.15 2.35 2.35 ! 0.9212 894:10 Long 3.84, 5.66 A assign (resid 125 and name HG2*) (resid 125 and name HN) 2.65 0.85 0.85 ! 0.9909 895:10 Intra 2.00, 3.20 A assign (resid 73 and name HG2*) (resid 73 and name HN) 2.30 0.50 0.50 ! 0.5858 899:10 Ambig 1.96, 3.53 A or (resid 73 and name HG1*) (resid 73 and name HN) ! 0.4133 899:10 ----- 2.08, 3.51 A assign (resid 64 and name HD1*) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.9142 900:10 Long 4.53, 6.07 A assign (resid 39 and name HB2) (resid 39 and name HN) 2.65 0.85 0.85 ! 0.9585 902:10 Intra 2.58, 2.79 A assign (resid 38 and name HG*) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.0000 903:10 Seq 2.23, 4.12 A assign (resid 60 and name HG11) (resid 60 and name HN) 2.65 0.85 0.85 ! 0.5512 904:10 Ambig 2.53, 2.64 A or (resid 38 and name HB1) (resid 39 and name HN) ! 0.4361 904:10 ----- 2.63, 3.13 A assign (resid 60 and name HD1*) (resid 60 and name HN) 3.15 1.35 1.35 ! 0.4725 905:10 Ambig 4.24, 4.82 A or (resid 60 and name HG2*) (resid 60 and name HN) ! 0.3873 905:10 ----- 4.38, 4.65 A or (resid 79 and name HB*) (resid 60 and name HN) ! 0.1403 905:10 ----- 5.19, 6.50 A assign (resid 81 and name HB*) (resid 81 and name HN) 2.30 0.50 0.50 ! 0.9962 907:10 Intra 2.49, 2.93 A assign (resid 79 and name HB*) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.6071 908:10 Ambig 4.81, 5.30 A or (resid 77 and name HD2*) (resid 81 and name HN) ! 0.3929 908:10 ----- 5.17, 6.14 A assign (resid 77 and name HD1*) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.7590 909:10 Ambig 4.77, 5.70 A or (resid 82 and name HG2*) (resid 81 and name HN) ! 0.1530 909:10 ----- 6.23, 7.93 A assign (resid 118 and name HG2) (resid 90 and name HN) 4.15 2.35 2.35 ! 0.8232 912:10 Ambig 4.73, 5.68 A or (resid 39 and name HG1) (resid 90 and name HN) ! 0.1092 912:10 ----- 6.63, 7.52 A assign (resid 47 and name HG2) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.0000 913:10 Long 3.77, 4.12 A assign (resid 47 and name HG1) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.0000 914:10 Long 2.97, 3.68 A assign (resid 97 and name HG2*) (resid 88 and name HN) 4.15 2.35 2.35 ! 0.0000 915:10 Long 5.68, 7.03 A assign (resid 111 and name HG2*) (resid 127 and name HN) 4.15 2.35 2.35 ! 0.0000 916:10 Long 5.36, 6.35 A assign (resid 111 and name HG1*) (resid 127 and name HN) 3.65 1.85 1.85 ! 0.0000 917:10 Long 5.39, 6.42 A assign (resid 118 and name HB2) (resid 37 and name HN) 4.15 2.35 2.35 ! 0.0000 919:10 Long 4.75, 5.33 A assign (resid 47 and name HD1) (resid 37 and name HN) 4.15 2.35 2.35 ! 0.8650 920:10 Ambig 4.04, 5.39 A or (resid 118 and name HG2) (resid 37 and name HN) ! 0.1350 920:10 ----- 5.51, 6.39 A assign (resid 39 and name HG1) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.8980 921:10 Ambig 4.50, 4.58 A or (resid 118 and name HG2) (resid 39 and name HN) ! 0.1020 921:10 ----- 6.46, 7.33 A assign (resid 54 and name HG1*) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.8432 922:10 Ambig 4.62, 5.80 A or (resid 83 and name HD1*) (resid 81 and name HN) ! 0.1568 922:10 ----- 6.11, 7.24 A assign (resid 90 and name HD1*) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.6586 923:10 Ambig 4.29, 5.03 A or (resid 118 and name HG1) (resid 90 and name HN) ! 0.3414 923:10 ----- 4.79, 5.22 A assign (resid 39 and name HB1) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.0000 924:10 Intra 2.45, 2.57 A assign (resid 77 and name HN) (resid 76 and name HN) 4.15 2.35 2.35 ! 0.0000 925:10 Seq 4.14, 4.28 A assign (resid 46 and name HN) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 926:10 Seq 4.33, 4.39 A assign (resid 96 and name HE1) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 927:10 Seq 5.05, 5.27 A assign (resid 96 and name HN) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 928:10 Seq 4.22, 4.36 A assign (resid 65 and name HN) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.5210 929:10 Ambig 4.33, 4.39 A or (resid 63 and name HN) (resid 64 and name HN) ! 0.4790 929:10 ----- 4.39, 4.42 A assign (resid 109 and name HN) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.0000 930:10 Seq 4.18, 4.27 A assign (resid 63 and name HN) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.7842 931:10 Ambig 2.94, 3.14 A or (resid 65 and name HN) (resid 108 and name HN) ! 0.2158 931:10 ----- 3.64, 3.97 A assign (resid 93 and name HN) (resid 114 and name HN) 4.15 2.35 2.35 ! 0.0000 932:10 Long 3.87, 4.47 A assign (resid 121 and name HN) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.5321 935:10 Ambig 4.15, 4.37 A or (resid 116 and name HN) (resid 122 and name HN) ! 0.4173 935:10 ----- 4.32, 4.79 A assign (resid 122 and name HN) (resid 121 and name HN) 3.65 1.85 1.85 ! 0.0000 936:10 Seq 4.15, 4.37 A assign (resid 120 and name HN) (resid 121 and name HN) 3.15 1.35 1.35 ! 0.0000 938:10 Seq 4.08, 4.17 A assign (resid 73 and name HN) (resid 64 and name HN) 4.15 2.35 2.35 ! 0.0000 939:10 Long 4.80, 4.92 A assign (resid 99 and name HN) (resid 108 and name HN) 4.15 2.35 2.35 ! 0.0000 940:10 Long 4.97, 5.11 A assign (resid 34 and name HN) (resid 33 and name HN) 3.65 1.85 1.85 ! 0.0000 943:10 Seq 1.96, 3.19 A assign (resid 55 and name HN) (resid 129 and name HN) 4.15 2.35 2.35 ! 0.0000 945:10 Long 4.70, 4.84 A assign (resid 54 and name HN) (resid 129 and name HN) 3.15 1.35 1.35 ! 0.9917 946:10 Long 2.87, 3.14 A assign (resid 40 and name HN) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.0000 948:10 Mid 3.12, 3.51 A assign (resid 113 and name HN) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.8567 950:10 Ambig 4.22, 4.56 A or (resid 91 and name HN) (resid 114 and name HN) ! 0.0717 950:10 ----- 6.38, 6.73 A assign (resid 124 and name HN) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.0000 951:10 Long 4.52, 4.81 A assign (resid 94 and name HN) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.0000 952:10 Long 3.80, 4.07 A assign (resid 91 and name HN) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.4854 953:10 Ambig 4.89, 5.25 A or (resid 113 and name HN) (resid 95 and name HN) ! 0.4050 953:10 ----- 5.04, 5.29 A or (resid 97 and name HN) (resid 95 and name HN) ! 0.1095 953:10 ----- 6.27, 6.52 A assign (resid 41 and name HN) (resid 42 and name HN) 4.15 2.35 2.35 ! 0.0000 956:10 Seq 2.56, 2.80 A assign (resid 40 and name HN) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.0000 957:10 Mid 4.08, 4.62 A assign (resid 115 and name HN) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.9940 958:10 Long 2.73, 3.03 A assign (resid 117 and name HN) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.7398 959:10 Ambig 4.09, 4.91 A or (resid 120 and name HD21) (resid 122 and name HN) ! 0.2602 959:10 ----- 4.87, 7.10 A assign (resid 120 and name HD21) (resid 121 and name HN) 4.15 2.35 2.35 ! 0.5756 961:10 Ambig 4.58, 5.68 A or (resid 117 and name HN) (resid 121 and name HN) ! 0.4244 961:10 ----- 4.82, 5.45 A assign (resid 121 and name HE1) (resid 121 and name HN) 3.65 1.85 1.85 ! 0.8301 963:10 Ambig 4.16, 4.41 A or (resid 37 and name HZ2) (resid 121 and name HN) ! 0.1699 963:10 ----- 5.41, 6.32 A assign (resid 66 and name HN) (resid 64 and name HN) 4.15 2.35 2.35 ! 0.0000 964:10 Mid 3.95, 4.12 A assign (resid 49 and name HN) (resid 47 and name HN) 4.15 2.35 2.35 ! 0.0000 966:10 Mid 5.46, 5.75 A assign (resid 37 and name HE3) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 967:10 Long 3.23, 3.70 A assign (resid 70 and name HN) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.0000 968:10 Seq 2.11, 2.23 A assign (resid 43 and name HN) (resid 44 and name HN) 2.65 0.85 0.85 ! 0.9847 970:10 Seq 2.17, 2.35 A assign (resid 42 and name HN) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.7400 971:10 Ambig 3.05, 3.36 A or (resid 40 and name HD22) (resid 44 and name HN) ! 0.2600 971:10 ----- 3.63, 5.69 A assign (resid 114 and name HN) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.9922 973:10 Long 2.87, 3.65 A assign (resid 43 and name HN) (resid 42 and name HN) 2.65 0.85 0.85 ! 0.9994 975:10 Seq 2.11, 2.54 A assign (resid 44 and name HN) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.7241 976:10 Ambig 3.05, 3.36 A or (resid 40 and name HD21) (resid 42 and name HN) ! 0.2651 976:10 ----- 3.61, 4.44 A assign (resid 75 and name HN) (resid 76 and name HN) 3.65 1.85 1.85 ! 0.5847 979:10 Ambig 3.97, 4.29 A or (resid 76 and name HD21) (resid 76 and name HN) ! 0.4153 979:10 ----- 4.21, 4.64 A assign (resid 76 and name HD22) (resid 76 and name HN) 4.15 2.35 2.35 ! 0.0000 982:10 Intra 5.60, 5.87 A assign (resid 46 and name HD*) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.9103 984:10 Seq 3.16, 4.55 A assign (resid 37 and name HZ3) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.0000 985:10 Long 3.13, 3.51 A assign (resid 71 and name HN) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.0000 986:10 Mid 3.71, 3.90 A assign (resid 68 and name HN) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.6746 987:10 Ambig 4.14, 4.19 A or (resid 70 and name HD22) (resid 69 and name HN) ! 0.1860 987:10 ----- 5.13, 6.94 A or (resid 96 and name HH2) (resid 69 and name HN) ! 0.1394 987:10 ----- 5.38, 5.66 A assign (resid 128 and name HN) (resid 129 and name HN) 3.65 1.85 1.85 ! 0.0000 988:10 Seq 4.23, 4.28 A assign (resid 6 and name HD*) (resid 6 and name HN) 4.15 2.35 2.35 ! 0.0000 990:10 Intra 2.06, 4.11 A assign (resid 42 and name HD*) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.6336 991:10 Ambig 4.35, 5.57 A or (resid 46 and name HD*) (resid 44 and name HN) ! 0.3097 991:10 ----- 4.90, 7.41 A assign (resid 91 and name HE22) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.0000 993:10 Long 3.22, 4.13 A assign (resid 96 and name HD1) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 994:10 Seq 4.44, 4.81 A assign (resid 112 and name HN) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.9464 995:10 Long 3.20, 3.43 A assign (resid 41 and name HE21) (resid 42 and name HN) 4.15 2.35 2.35 ! 0.0000 996:10 Seq 4.48, 5.77 A assign (resid 42 and name HD*) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.9880 997:10 Intra 2.64, 3.70 A assign (resid 42 and name HE*) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.7592 998:10 Ambig 4.46, 5.30 A or (resid 41 and name HE22) (resid 42 and name HN) ! 0.2408 998:10 ----- 5.41, 6.84 A assign (resid 121 and name HD2) (resid 122 and name HN) 4.15 2.35 2.35 ! 0.0000 1000:10 Seq 4.39, 4.94 A assign (resid 121 and name HD2) (resid 121 and name HN) 3.65 1.85 1.85 ! 0.0000 1001:10 Intra 4.22, 4.39 A assign (resid 46 and name HA) (resid 47 and name HN) 2.65 0.85 0.85 ! 0.0000 1002:10 Seq 2.17, 2.25 A assign (resid 88 and name HA) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 1003:10 Long 4.66, 4.83 A assign (resid 45 and name HA) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.0000 1005:10 Seq 4.87, 5.04 A assign (resid 94 and name HD2) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.0000 1006:10 Long 3.58, 4.06 A assign (resid 94 and name HD2) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 1007:10 Seq 3.62, 3.98 A assign (resid 120 and name HA) (resid 121 and name HN) 3.15 1.35 1.35 ! 0.0000 1009:10 Seq 1.97, 2.06 A assign (resid 63 and name HA) (resid 64 and name HN) 2.65 0.85 0.85 ! 0.9995 1010:10 Seq 2.12, 2.22 A assign (resid 108 and name HA) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.8854 1012:10 Ambig 2.92, 2.93 A or (resid 63 and name HA) (resid 108 and name HN) ! 0.0518 1012:10 ----- 4.69, 4.80 A assign (resid 87 and name HA) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.5247 1013:10 Ambig 4.26, 4.61 A or (resid 98 and name HA2) (resid 108 and name HN) ! 0.2886 1013:10 ----- 4.71, 4.92 A or (resid 62 and name HA) (resid 108 and name HN) ! 0.1867 1013:10 ----- 5.06, 5.20 A assign (resid 130 and name HA) (resid 129 and name HN) 4.15 2.35 2.35 ! 0.0000 1014:10 Seq 4.78, 4.87 A assign (resid 53 and name HA) (resid 129 and name HN) 3.65 1.85 1.85 ! 0.0000 1015:10 Long 4.46, 4.78 A assign (resid 40 and name HA) (resid 44 and name HN) 4.15 2.35 2.35 ! 0.0000 1017:10 Mid 4.98, 5.22 A assign (resid 95 and name HA) (resid 114 and name HN) 4.15 2.35 2.35 ! 0.0000 1018:10 Long 5.10, 5.57 A assign (resid 95 and name HA) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.9633 1021:10 Intra 2.89, 2.91 A assign (resid 40 and name HA) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.0000 1023:10 Mid 3.98, 4.19 A assign (resid 121 and name HA) (resid 122 and name HN) 2.30 0.50 0.50 ! 0.0000 1024:10 Seq 2.10, 2.15 A assign (resid 116 and name HA2) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.9964 1025:10 Long 2.49, 4.40 A assign (resid 121 and name HA) (resid 121 and name HN) 2.65 0.85 0.85 ! 0.9217 1026:10 Intra 2.90, 2.92 A assign (resid 116 and name HA2) (resid 121 and name HN) 4.15 2.35 2.35 ! 0.8835 1027:10 Ambig 4.71, 6.74 A or (resid 117 and name HA) (resid 121 and name HN) ! 0.1165 1027:10 ----- 6.60, 7.17 A assign (resid 64 and name HA) (resid 64 and name HN) 3.15 1.35 1.35 ! 0.9434 1029:10 Intra 2.90, 2.92 A assign (resid 75 and name HA2) (resid 76 and name HN) 3.15 1.35 1.35 ! 0.9679 1030:10 Seq 2.14, 2.19 A assign (resid 73 and name HA) (resid 64 and name HN) 3.15 1.35 1.35 ! 0.8383 1031:10 Ambig 3.69, 3.94 A or (resid 62 and name HB) (resid 64 and name HN) ! 0.0731 1031:10 ----- 5.54, 5.84 A assign (resid 107 and name HA) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.9807 1033:10 Seq 2.15, 2.20 A assign (resid 62 and name HB) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.9424 1034:10 Long 3.29, 3.62 A assign (resid 32 and name HA) (resid 33 and name HN) 2.65 0.85 0.85 ! 0.0000 1037:10 Seq 2.11, 2.68 A assign (resid 21 and name HA) (resid 21 and name HN) 3.15 1.35 1.35 ! 0.9814 1038:10 Intra 2.23, 2.78 A assign (resid 33 and name HA) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.9966 1039:10 Intra 2.20, 2.78 A assign (resid 3 and name HA) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.8570 1041:10 Ambig 2.11, 2.58 A or (resid 4 and name HA) (resid 4 and name HN) ! 0.1430 1041:10 ----- 2.85, 2.90 A assign (resid 68 and name HA) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.0000 1042:10 Seq 2.35, 2.47 A assign (resid 69 and name HA) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.0000 1043:10 Intra 2.86, 2.89 A assign (resid 129 and name HA) (resid 129 and name HN) 2.65 0.85 0.85 ! 0.9321 1046:10 Intra 2.93, 2.94 A assign (resid 55 and name HA) (resid 129 and name HN) 3.65 1.85 1.85 ! 0.7891 1047:10 Ambig 3.43, 3.68 A or (resid 56 and name HA2) (resid 129 and name HN) ! 0.2109 1047:10 ----- 4.27, 5.28 A assign (resid 6 and name HA) (resid 6 and name HN) 3.65 1.85 1.85 ! 0.9890 1049:10 Intra 2.79, 2.90 A assign (resid 42 and name HA) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.5654 1050:10 Ambig 4.19, 4.44 A or (resid 39 and name HA) (resid 44 and name HN) ! 0.4346 1050:10 ----- 4.37, 4.90 A assign (resid 43 and name HA1) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.0000 1051:10 Seq 3.08, 3.30 A assign (resid 44 and name HB) (resid 44 and name HN) 2.65 0.85 0.85 ! 0.9861 1053:10 Intra 2.44, 2.54 A assign (resid 114 and name HA) (resid 114 and name HN) 3.15 1.35 1.35 ! 0.9355 1054:10 Intra 2.84, 2.87 A assign (resid 113 and name HA) (resid 114 and name HN) 2.30 0.50 0.50 ! 0.9159 1055:10 Seq 2.11, 2.23 A assign (resid 114 and name HA) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 1056:10 Long 5.03, 5.25 A assign (resid 113 and name HA) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.7598 1057:10 Ambig 3.48, 3.85 A or (resid 110 and name HA) (resid 95 and name HN) ! 0.2402 1057:10 ----- 4.21, 4.55 A assign (resid 42 and name HA) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.0000 1058:10 Intra 2.87, 2.89 A assign (resid 43 and name HA1) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.0000 1059:10 Seq 4.79, 5.14 A assign (resid 41 and name HA) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.7921 1060:10 Ambig 3.21, 3.39 A or (resid 44 and name HB) (resid 42 and name HN) ! 0.2079 1060:10 ----- 4.01, 4.37 A assign (resid 116 and name HA1) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.0000 1061:10 Long 2.87, 3.31 A assign (resid 119 and name HD2) (resid 121 and name HN) 4.15 2.35 2.35 ! 0.7834 1063:10 Ambig 5.92, 6.25 A or (resid 119 and name HD1) (resid 121 and name HN) ! 0.2166 1063:10 ----- 7.33, 7.50 A assign (resid 75 and name HA1) (resid 76 and name HN) 3.15 1.35 1.35 ! 0.0000 1064:10 Seq 3.10, 3.19 A assign (resid 75 and name HA1) (resid 64 and name HN) 4.15 2.35 2.35 ! 0.0000 1065:10 Long 5.30, 5.64 A assign (resid 72 and name HD2) (resid 64 and name HN) 4.15 2.35 2.35 ! 0.8917 1066:10 Ambig 3.36, 3.74 A or (resid 65 and name HA1) (resid 64 and name HN) ! 0.0608 1066:10 ----- 5.26, 5.49 A assign (resid 63 and name HD1) (resid 64 and name HN) 3.15 1.35 1.35 ! 0.0000 1067:10 Seq 3.76, 3.95 A assign (resid 48 and name HD1) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 1068:10 Seq 4.31, 4.54 A assign (resid 48 and name HD2) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 1069:10 Seq 4.61, 5.06 A assign (resid 46 and name HB2) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.9981 1070:10 Seq 2.45, 2.63 A assign (resid 20 and name HA*) (resid 21 and name HN) 3.15 1.35 1.35 ! 0.0000 1071:10 Seq 2.15, 3.05 A assign (resid 32 and name HD2) (resid 33 and name HN) 4.15 2.35 2.35 ! 0.0000 1072:10 Seq 2.41, 4.14 A assign (resid 68 and name HB2) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.8524 1074:10 Ambig 3.16, 3.47 A or (resid 70 and name HB2) (resid 69 and name HN) ! 0.1476 1074:10 ----- 4.24, 4.87 A assign (resid 128 and name HA*) (resid 129 and name HN) 2.30 0.50 0.50 ! 0.0000 1075:10 Seq 2.36, 2.54 A assign (resid 43 and name HA2) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.0000 1076:10 Seq 2.95, 3.08 A assign (resid 93 and name HA2) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.8665 1077:10 Ambig 3.92, 4.29 A or (resid 124 and name HA1) (resid 114 and name HN) ! 0.1335 1077:10 ----- 5.36, 5.61 A assign (resid 112 and name HA) (resid 95 and name HN) 4.15 2.35 2.35 ! 0.7604 1079:10 Ambig 5.04, 5.34 A or (resid 96 and name HB2) (resid 95 and name HN) ! 0.2396 1079:10 ----- 6.11, 6.28 A assign (resid 42 and name HB2) (resid 42 and name HN) 2.65 0.85 0.85 ! 0.0000 1080:10 Intra 2.40, 2.52 A assign (resid 114 and name HB1) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.9152 1081:10 Long 3.50, 4.38 A assign (resid 120 and name HB2) (resid 121 and name HN) 3.65 1.85 1.85 ! 0.0000 1082:10 Seq 4.28, 4.37 A assign (resid 120 and name HB1) (resid 121 and name HN) 3.65 1.85 1.85 ! 0.0000 1083:10 Seq 3.60, 4.06 A assign (resid 76 and name HB2) (resid 76 and name HN) 3.65 1.85 1.85 ! 0.0000 1084:10 Intra 2.92, 3.16 A assign (resid 72 and name HB2) (resid 64 and name HN) 3.15 1.35 1.35 ! 0.9860 1085:10 Long 2.42, 2.73 A assign (resid 46 and name HB1) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.0000 1086:10 Seq 3.77, 3.89 A assign (resid 108 and name HB2) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.9918 1087:10 Intra 2.47, 2.53 A assign (resid 87 and name HG2) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 1088:10 Long 3.13, 4.24 A assign (resid 32 and name HB2) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.8779 1089:10 Ambig 2.52, 3.74 A or (resid 28 and name HB2) (resid 33 and name HN) ! 0.1221 1089:10 ----- 3.50, 6.46 A assign (resid 70 and name HB1) (resid 69 and name HN) 4.15 2.35 2.35 ! 0.9741 1090:10 Seq 4.26, 5.00 A assign (resid 68 and name HB1) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.9981 1091:10 Seq 2.00, 2.28 A assign (resid 5 and name HB*) (resid 5 and name HN) 4.15 2.35 2.35 ! 0.0000 1092:10 Intra 2.34, 3.04 A assign (resid 6 and name HB1) (resid 6 and name HN) 3.65 1.85 1.85 ! 0.5029 1095:10 Ambig 2.46, 3.41 A or (resid 6 and name HB2) (resid 6 and name HN) ! 0.4971 1095:10 ----- 2.46, 2.60 A assign (resid 5 and name HB*) (resid 6 and name HN) 3.65 1.85 1.85 ! 0.9985 1096:10 Seq 1.81, 3.76 A assign (resid 42 and name HB1) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.8624 1097:10 Ambig 3.79, 4.18 A or (resid 46 and name HB1) (resid 44 and name HN) ! 0.0577 1097:10 ----- 5.94, 6.36 A assign (resid 91 and name HB2) (resid 44 and name HN) 4.15 2.35 2.35 ! 0.0000 1098:10 Long 5.23, 5.63 A assign (resid 114 and name HB2) (resid 114 and name HN) 2.65 0.85 0.85 ! 0.7095 1099:10 Ambig 2.50, 2.99 A or (resid 114 and name HB1) (resid 114 and name HN) ! 0.2905 1099:10 ----- 2.90, 3.59 A assign (resid 94 and name HB2) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.0000 1100:10 Seq 3.52, 3.75 A assign (resid 42 and name HB1) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.9823 1101:10 Intra 3.61, 3.65 A assign (resid 121 and name HB2) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.0000 1102:10 Seq 2.86, 3.34 A assign (resid 115 and name HB2) (resid 122 and name HN) 3.65 1.85 1.85 ! 0.9415 1103:10 Long 3.58, 4.69 A assign (resid 122 and name HB) (resid 122 and name HN) 2.65 0.85 0.85 ! 0.9349 1104:10 Intra 2.46, 2.53 A assign (resid 121 and name HB2) (resid 121 and name HN) 3.15 1.35 1.35 ! 0.9122 1105:10 Intra 3.70, 3.74 A assign (resid 121 and name HB1) (resid 121 and name HN) 3.15 1.35 1.35 ! 0.9549 1106:10 Intra 3.01, 3.08 A assign (resid 76 and name HB1) (resid 76 and name HN) 3.15 1.35 1.35 ! 0.9973 1107:10 Intra 2.57, 2.70 A assign (resid 63 and name HB*) (resid 64 and name HN) 2.65 0.85 0.85 ! 0.9427 1108:10 Seq 2.60, 3.31 A assign (resid 64 and name HB) (resid 64 and name HN) 2.65 0.85 0.85 ! 0.9988 1109:10 Intra 2.41, 2.54 A assign (resid 63 and name HB*) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.4803 1110:10 Ambig 3.53, 4.38 A or (resid 108 and name HB1) (resid 108 and name HN) ! 0.3861 1110:10 ----- 3.67, 3.70 A or (resid 47 and name HE*) (resid 47 and name HN) ! 0.0637 1110:10 ----- 4.95, 5.61 A assign (resid 88 and name HB) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.0000 1111:10 Long 3.16, 3.45 A assign (resid 64 and name HB) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.2900 1112:10 Ambig 5.81, 6.20 A or (resid 106 and name HB1) (resid 108 and name HN) ! 0.2655 1112:10 ----- 5.90, 6.28 A or (resid 106 and name HG2) (resid 108 and name HN) ! 0.1807 1112:10 ----- 6.29, 6.91 A or (resid 71 and name HB*) (resid 108 and name HN) ! 0.1798 1112:10 ----- 6.30, 7.14 A assign (resid 33 and name HB) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.0000 1113:10 Intra 2.54, 3.22 A assign (resid 21 and name HB*) (resid 21 and name HN) 3.15 1.35 1.35 ! 0.9957 1114:10 Intra 2.33, 3.14 A assign (resid 4 and name HB*) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.5559 1115:10 Ambig 2.40, 3.11 A or (resid 4 and name HD*) (resid 4 and name HN) ! 0.4441 1115:10 ----- 2.49, 4.80 A assign (resid 69 and name HG) (resid 69 and name HN) 2.65 0.85 0.85 ! 0.5180 1116:10 Ambig 2.31, 3.23 A or (resid 69 and name HB2) (resid 69 and name HN) ! 0.4800 1116:10 ----- 2.34, 2.46 A assign (resid 129 and name HB) (resid 129 and name HN) 2.65 0.85 0.85 ! 0.9953 1117:10 Intra 2.53, 2.61 A assign (resid 54 and name HB) (resid 129 and name HN) 3.15 1.35 1.35 ! 0.0000 1118:10 Long 2.79, 3.10 A assign (resid 91 and name HG2) (resid 44 and name HN) 4.15 2.35 2.35 ! 0.3899 1120:10 Ambig 6.09, 6.73 A or (resid 67 and name HD1) (resid 44 and name HN) ! 0.3232 1120:10 ----- 6.28, 6.80 A or (resid 41 and name HG*) (resid 44 and name HN) ! 0.2869 1120:10 ----- 6.41, 7.48 A assign (resid 115 and name HB2) (resid 114 and name HN) 4.15 2.35 2.35 ! 0.0000 1121:10 Seq 4.40, 5.41 A assign (resid 94 and name HB1) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.6845 1124:10 Ambig 2.23, 2.51 A or (resid 114 and name HB1) (resid 95 and name HN) ! 0.3155 1124:10 ----- 2.53, 4.19 A assign (resid 41 and name HB1) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.0000 1127:10 Seq 2.90, 3.71 A assign (resid 41 and name HB2) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.0000 1128:10 Seq 2.74, 3.63 A assign (resid 41 and name HG*) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.9689 1129:10 Seq 3.33, 4.73 A assign (resid 122 and name HG12) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.0000 1130:10 Intra 2.20, 3.18 A assign (resid 122 and name HG11) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.9963 1131:10 Intra 2.23, 2.89 A assign (resid 122 and name HD1*) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.8417 1132:10 Ambig 3.28, 4.46 A or (resid 122 and name HG2*) (resid 122 and name HN) ! 0.1583 1132:10 ----- 4.34, 4.57 A assign (resid 64 and name HG12) (resid 64 and name HN) 3.15 1.35 1.35 ! 0.0000 1137:10 Intra 3.62, 3.87 A assign (resid 64 and name HG11) (resid 64 and name HN) 3.15 1.35 1.35 ! 0.9854 1138:10 Intra 2.39, 2.84 A assign (resid 64 and name HD1*) (resid 64 and name HN) 3.15 1.35 1.35 ! 0.9220 1139:10 Intra 2.43, 4.44 A assign (resid 62 and name HG2*) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.8247 1140:10 Ambig 3.16, 5.59 A or (resid 64 and name HG12) (resid 108 and name HN) ! 0.1631 1140:10 ----- 4.14, 5.31 A assign (resid 106 and name HG1) (resid 108 and name HN) 4.15 2.35 2.35 ! 0.0000 1141:10 Mid 4.73, 5.26 A assign (resid 107 and name HG1*) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.7597 1142:10 Ambig 2.45, 3.16 A or (resid 47 and name HB1) (resid 47 and name HN) ! 0.1624 1142:10 ----- 3.17, 3.28 A assign (resid 21 and name HG*) (resid 21 and name HN) 3.65 1.85 1.85 ! 0.0000 1143:10 Intra 1.91, 3.62 A assign (resid 33 and name HG2*) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.5521 1144:10 Ambig 1.96, 3.68 A or (resid 33 and name HG1*) (resid 33 and name HN) ! 0.4479 1144:10 ----- 2.03, 3.57 A assign (resid 3 and name HB*) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.6262 1145:10 Ambig 1.94, 3.87 A or (resid 4 and name HG*) (resid 4 and name HN) ! 0.3738 1145:10 ----- 2.12, 3.67 A assign (resid 69 and name HD1*) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.0000 1146:10 Intra 3.68, 4.61 A assign (resid 69 and name HD2*) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.0000 1147:10 Intra 2.07, 3.72 A assign (resid 131 and name HG*) (resid 129 and name HN) 4.15 2.35 2.35 ! 0.6554 1149:10 Ambig 5.65, 7.57 A or (resid 60 and name HD1*) (resid 129 and name HN) ! 0.3446 1149:10 ----- 6.29, 7.31 A assign (resid 129 and name HG2*) (resid 129 and name HN) 3.15 1.35 1.35 ! 0.9564 1150:10 Intra 2.59, 3.50 A assign (resid 54 and name HG1*) (resid 129 and name HN) 3.15 1.35 1.35 ! 0.6557 1151:10 Ambig 4.01, 5.01 A or (resid 54 and name HG2*) (resid 129 and name HN) ! 0.3443 1151:10 ----- 4.46, 5.41 A assign (resid 44 and name HG2*) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.5984 1153:10 Ambig 4.20, 4.49 A or (resid 39 and name HD1) (resid 44 and name HN) ! 0.3634 1153:10 ----- 4.57, 6.23 A assign (resid 39 and name HG2) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.0000 1154:10 Long 3.62, 4.30 A assign (resid 113 and name HG2*) (resid 114 and name HN) 3.15 1.35 1.35 ! 0.9300 1156:10 Seq 2.60, 3.77 A assign (resid 95 and name HG2*) (resid 114 and name HN) 4.15 2.35 2.35 ! 0.9458 1158:10 Long 3.11, 5.55 A assign (resid 95 and name HB) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.9442 1159:10 Intra 2.85, 2.95 A assign (resid 95 and name HG2*) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.9953 1160:10 Intra 1.98, 2.89 A assign (resid 39 and name HD1) (resid 42 and name HN) 4.15 2.35 2.35 ! 0.5683 1161:10 Ambig 5.88, 7.55 A or (resid 44 and name HG2*) (resid 42 and name HN) ! 0.4317 1161:10 ----- 6.15, 6.80 A assign (resid 39 and name HG2) (resid 42 and name HN) 4.15 2.35 2.35 ! 0.0000 1162:10 Mid 4.66, 5.29 A assign (resid 107 and name HG2*) (resid 64 and name HN) 4.15 2.35 2.35 ! 0.0000 1165:10 Long 4.97, 6.85 A assign (resid 47 and name HG2) (resid 47 and name HN) 2.65 0.85 0.85 ! 0.9533 1166:10 Intra 2.50, 2.79 A assign (resid 47 and name HG1) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.0000 1167:10 Intra 2.36, 3.28 A assign (resid 47 and name HD1) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 1168:10 Intra 4.66, 4.93 A assign (resid 39 and name HG1) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.0000 1169:10 Long 3.29, 4.05 A assign (resid 111 and name HG2*) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 1170:10 Long 3.96, 4.63 A assign (resid 90 and name HD1*) (resid 122 and name HN) 4.15 2.35 2.35 ! 0.0000 1171:10 Long 5.03, 6.29 A assign (resid 90 and name HD1*) (resid 121 and name HN) 4.15 2.35 2.35 ! 0.7944 1172:10 Ambig 4.89, 5.71 A or (resid 118 and name HG1) (resid 121 and name HN) ! 0.2056 1172:10 ----- 6.12, 7.04 A assign (resid 67 and name HB*) (resid 108 and name HN) 4.15 2.35 2.35 ! 0.0000 1173:10 Long 5.70, 7.03 A assign (resid 96 and name HN) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.0000 1177:10 Long 2.99, 3.20 A assign (resid 96 and name HE1) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.0000 1178:10 Mid 2.72, 3.14 A assign (resid 92 and name HN) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.7547 1179:10 Ambig 4.62, 4.83 A or (resid 96 and name HN) (resid 94 and name HN) ! 0.2453 1179:10 ----- 5.58, 6.03 A assign (resid 77 and name HN) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.0000 1180:10 Long 3.44, 3.75 A assign (resid 109 and name HN) (resid 63 and name HN) 4.15 2.35 2.35 ! 0.0000 1181:10 Long 4.82, 4.92 A assign (resid 93 and name HN) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.0000 1182:10 Seq 2.31, 2.55 A assign (resid 109 and name HN) (resid 99 and name HN) 3.65 1.85 1.85 ! 0.0000 1183:10 Long 4.58, 4.88 A assign (resid 98 and name HN) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.0000 1184:10 Seq 4.26, 4.33 A assign (resid 63 and name HN) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.0000 1185:10 Seq 4.40, 4.47 A assign (resid 108 and name HN) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.9943 1186:10 Long 2.94, 3.14 A assign (resid 88 and name HN) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.5237 1187:10 Ambig 4.22, 4.34 A or (resid 97 and name HN) (resid 89 and name HN) ! 0.2512 1187:10 ----- 4.77, 4.84 A or (resid 47 and name HN) (resid 89 and name HN) ! 0.2252 1187:10 ----- 4.86, 5.00 A assign (resid 64 and name HN) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.8717 1188:10 Ambig 4.39, 4.42 A or (resid 74 and name HN) (resid 63 and name HN) ! 0.0956 1188:10 ----- 6.34, 6.91 A assign (resid 99 and name HN) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.0000 1189:10 Seq 4.27, 4.32 A assign (resid 107 and name HN) (resid 100 and name HN) 3.65 1.85 1.85 ! 0.0000 1190:10 Long 4.61, 4.87 A assign (resid 91 and name HN) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.9884 1191:10 Mid 3.61, 3.73 A assign (resid 100 and name HN) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.0000 1192:10 Seq 4.27, 4.32 A assign (resid 107 and name HN) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.9917 1193:10 Long 3.01, 3.17 A assign (resid 76 and name HN) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.4936 1194:10 Ambig 4.30, 4.48 A or (resid 74 and name HN) (resid 62 and name HN) ! 0.4621 1194:10 ----- 4.34, 4.91 A assign (resid 61 and name HN) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.0000 1195:10 Seq 4.25, 4.44 A assign (resid 101 and name HN) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.9898 1197:10 Mid 3.09, 3.39 A assign (resid 106 and name HN) (resid 105 and name HN) 3.15 1.35 1.35 ! 0.0000 1198:10 Seq 4.41, 4.50 A assign (resid 56 and name HN) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 1199:10 Mid 3.34, 3.87 A assign (resid 62 and name HN) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.0000 1200:10 Seq 4.40, 4.47 A assign (resid 37 and name HE3) (resid 89 and name HN) 4.15 2.35 2.35 ! 0.5008 1202:10 Ambig 5.54, 6.29 A or (resid 85 and name HD*) (resid 89 and name HN) ! 0.2922 1202:10 ----- 6.06, 7.57 A or (resid 37 and name HZ2) (resid 89 and name HN) ! 0.2069 1202:10 ----- 6.42, 7.28 A assign (resid 100 and name HD22) (resid 100 and name HN) 4.15 2.35 2.35 ! 0.0000 1204:10 Intra 3.36, 4.88 A assign (resid 95 and name HN) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.0000 1205:10 Seq 4.27, 4.35 A assign (resid 114 and name HN) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.9420 1207:10 Long 3.80, 4.07 A assign (resid 11 and name HN) (resid 12 and name HN) 3.65 1.85 1.85 ! 0.9840 1208:10 Seq 1.79, 3.55 A assign (resid 104 and name HN) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.0000 1209:10 Seq 2.20, 2.39 A assign (resid 103 and name HN) (resid 105 and name HN) 3.15 1.35 1.35 ! 0.0000 1210:10 Mid 3.12, 3.43 A assign (resid 58 and name HE21) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.7271 1211:10 Ambig 2.05, 3.98 A or (resid 105 and name HD21) (resid 105 and name HN) ! 0.2708 1211:10 ----- 2.42, 4.51 A assign (resid 57 and name HN) (resid 58 and name HN) 3.15 1.35 1.35 ! 0.9982 1212:10 Seq 1.86, 2.45 A assign (resid 96 and name HD1) (resid 89 and name HN) 4.15 2.35 2.35 ! 0.0000 1213:10 Long 5.04, 5.30 A assign (resid 96 and name HE3) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.0000 1214:10 Long 3.84, 4.06 A assign (resid 37 and name HZ3) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.6695 1215:10 Ambig 3.66, 4.15 A or (resid 37 and name HH2) (resid 89 and name HN) ! 0.3305 1215:10 ----- 4.12, 4.89 A assign (resid 96 and name HZ3) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.0000 1216:10 Long 2.70, 3.15 A assign (resid 96 and name HH2) (resid 63 and name HN) 4.15 2.35 2.35 ! 0.0000 1218:10 Long 4.80, 5.27 A assign (resid 99 and name HD*) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.0000 1219:10 Seq 2.96, 4.61 A assign (resid 100 and name HD21) (resid 100 and name HN) 3.65 1.85 1.85 ! 0.0000 1220:10 Intra 2.16, 4.22 A assign (resid 96 and name HD1) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.0000 1222:10 Mid 3.94, 4.34 A assign (resid 96 and name HZ2) (resid 94 and name HN) 4.15 2.35 2.35 ! 0.9339 1223:10 Mid 4.15, 4.96 A assign (resid 99 and name HD*) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.0000 1226:10 Intra 2.47, 3.69 A assign (resid 75 and name HN) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.8926 1227:10 Ambig 3.57, 3.88 A or (resid 76 and name HD21) (resid 62 and name HN) ! 0.1074 1227:10 ----- 5.08, 6.77 A assign (resid 105 and name HD22) (resid 105 and name HN) 4.15 2.35 2.35 ! 0.0000 1231:10 Intra 3.91, 5.30 A assign (resid 103 and name HD22) (resid 105 and name HN) 4.15 2.35 2.35 ! 0.0000 1232:10 Mid 3.36, 4.90 A assign (resid 58 and name HE22) (resid 58 and name HN) 4.15 2.35 2.35 ! 0.8967 1233:10 Ambig 2.78, 5.04 A or (resid 57 and name HD22) (resid 58 and name HN) ! 0.1033 1233:10 ----- 3.99, 5.11 A assign (resid 89 and name HA) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.9314 1237:10 Intra 2.90, 2.93 A assign (resid 88 and name HA) (resid 89 and name HN) 2.65 0.85 0.85 ! 0.0000 1238:10 Seq 2.13, 2.19 A assign (resid 94 and name HD2) (resid 94 and name HN) 4.15 2.35 2.35 ! 0.0000 1239:10 Intra 5.12, 5.40 A assign (resid 97 and name HA) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.9243 1240:10 Long 3.03, 3.24 A assign (resid 63 and name HA) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.5681 1241:10 Ambig 2.92, 2.93 A or (resid 109 and name HA) (resid 63 and name HN) ! 0.3912 1241:10 ----- 3.11, 3.48 A assign (resid 90 and name HA) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.5188 1242:10 Ambig 4.62, 4.75 A or (resid 95 and name HA) (resid 89 and name HN) ! 0.4812 1242:10 ----- 4.68, 4.96 A assign (resid 62 and name HA) (resid 63 and name HN) 2.65 0.85 0.85 ! 0.9987 1243:10 Seq 2.33, 2.47 A assign (resid 99 and name HA) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.0000 1245:10 Seq 2.17, 2.33 A assign (resid 100 and name HA) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.0000 1246:10 Intra 2.89, 2.91 A assign (resid 98 and name HA2) (resid 100 and name HN) 4.15 2.35 2.35 ! 0.0000 1247:10 Mid 5.95, 6.17 A assign (resid 95 and name HA) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.6295 1248:10 Ambig 4.47, 4.57 A or (resid 90 and name HA) (resid 94 and name HN) ! 0.3705 1248:10 ----- 4.88, 5.12 A assign (resid 108 and name HA) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.9364 1249:10 Long 3.46, 3.65 A assign (resid 98 and name HA2) (resid 99 and name HN) 2.65 0.85 0.85 ! 0.9995 1250:10 Seq 2.07, 2.10 A assign (resid 96 and name HA) (resid 95 and name HN) 4.15 2.35 2.35 ! 0.0000 1251:10 Seq 4.62, 4.75 A assign (resid 76 and name HA) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.9755 1253:10 Long 2.38, 2.75 A assign (resid 62 and name HA) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.0000 1254:10 Intra 2.87, 2.90 A assign (resid 100 and name HA) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.0000 1256:10 Long 4.07, 4.63 A assign (resid 58 and name HA) (resid 58 and name HN) 3.15 1.35 1.35 ! 0.0000 1257:10 Intra 2.75, 2.90 A assign (resid 107 and name HA) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.0000 1261:10 Long 4.57, 4.91 A assign (resid 62 and name HB) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.9935 1262:10 Seq 2.15, 2.47 A assign (resid 101 and name HA) (resid 100 and name HN) 3.65 1.85 1.85 ! 0.0000 1264:10 Seq 4.68, 4.94 A assign (resid 27 and name HA) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.0000 1267:10 Intra 2.21, 2.82 A assign (resid 92 and name HA) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.9310 1268:10 Mid 3.58, 3.89 A assign (resid 26 and name HA) (resid 27 and name HN) 3.15 1.35 1.35 ! 0.9595 1269:10 Seq 2.08, 2.57 A assign (resid 27 and name HB) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.0000 1270:10 Intra 2.50, 3.02 A assign (resid 93 and name HA1) (resid 94 and name HN) 2.65 0.85 0.85 ! 0.9942 1271:10 Seq 2.75, 2.91 A assign (resid 13 and name HA) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.0000 1272:10 Intra 2.27, 2.82 A assign (resid 62 and name HB) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.9540 1275:10 Intra 2.38, 3.53 A assign (resid 61 and name HA) (resid 62 and name HN) 2.65 0.85 0.85 ! 0.9962 1276:10 Seq 1.98, 2.11 A assign (resid 105 and name HA) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.9318 1278:10 Intra 2.82, 2.89 A assign (resid 104 and name HA2) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.0000 1279:10 Seq 2.92, 3.14 A assign (resid 110 and name HD2) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.5900 1282:10 Ambig 4.39, 4.83 A or (resid 75 and name HA1) (resid 63 and name HN) ! 0.4100 1282:10 ----- 4.67, 5.46 A assign (resid 63 and name HD1) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.8140 1283:10 Ambig 3.69, 4.09 A or (resid 63 and name HD2) (resid 63 and name HN) ! 0.1749 1283:10 ----- 4.77, 4.99 A assign (resid 96 and name HB2) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.0000 1284:10 Long 3.46, 3.68 A assign (resid 99 and name HB2) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.0000 1286:10 Seq 2.15, 2.57 A assign (resid 26 and name HB*) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.9067 1287:10 Seq 2.36, 3.89 A assign (resid 93 and name HA2) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.0000 1288:10 Seq 3.51, 3.54 A assign (resid 12 and name HB*) (resid 13 and name HN) 3.65 1.85 1.85 ! 0.5919 1289:10 Ambig 1.95, 4.01 A or (resid 13 and name HB*) (resid 13 and name HN) ! 0.1648 1289:10 ----- 2.41, 3.11 A or (resid 12 and name HB*) (resid 12 and name HN) ! 0.1583 1289:10 ----- 2.42, 3.27 A assign (resid 99 and name HB2) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.0000 1290:10 Intra 3.82, 3.87 A assign (resid 75 and name HA1) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.9503 1291:10 Long 3.03, 3.76 A assign (resid 104 and name HA1) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.0000 1294:10 Seq 3.04, 3.32 A assign (resid 59 and name HD2) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 1295:10 Seq 4.95, 5.19 A assign (resid 89 and name HB2) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.9833 1297:10 Intra 2.52, 2.80 A assign (resid 67 and name HA) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.6150 1298:10 Ambig 5.51, 5.79 A or (resid 109 and name HB1) (resid 63 and name HN) ! 0.3850 1298:10 ----- 5.96, 6.22 A assign (resid 89 and name HB1) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.0000 1299:10 Intra 3.30, 3.69 A assign (resid 63 and name HG2) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.9977 1300:10 Intra 2.47, 2.76 A assign (resid 99 and name HB1) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.0000 1301:10 Seq 3.62, 3.81 A assign (resid 100 and name HB1) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.9932 1302:10 Intra 2.47, 3.20 A assign (resid 100 and name HB2) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.0000 1303:10 Intra 2.38, 2.86 A assign (resid 94 and name HB2) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.0000 1304:10 Intra 2.79, 2.90 A assign (resid 98 and name HA1) (resid 99 and name HN) 2.65 0.85 0.85 ! 0.5235 1305:10 Ambig 3.13, 3.20 A or (resid 99 and name HB1) (resid 99 and name HN) ! 0.4765 1305:10 ----- 3.18, 3.33 A assign (resid 108 and name HB2) (resid 99 and name HN) 4.15 2.35 2.35 ! 0.0000 1306:10 Long 5.95, 6.16 A assign (resid 85 and name HB1) (resid 99 and name HN) 3.65 1.85 1.85 ! 0.7071 1307:10 Ambig 4.82, 5.29 A or (resid 100 and name HB1) (resid 99 and name HN) ! 0.2929 1307:10 ----- 5.58, 6.53 A assign (resid 76 and name HB2) (resid 62 and name HN) 4.15 2.35 2.35 ! 0.9652 1309:10 Long 4.22, 4.62 A assign (resid 103 and name HB2) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.9905 1311:10 Mid 2.82, 4.24 A assign (resid 105 and name HB2) (resid 105 and name HN) 3.15 1.35 1.35 ! 0.0000 1312:10 Intra 2.29, 2.77 A assign (resid 105 and name HB1) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.0000 1313:10 Intra 2.42, 2.83 A assign (resid 57 and name HB*) (resid 58 and name HN) 3.15 1.35 1.35 ! 0.9962 1314:10 Seq 2.27, 3.96 A assign (resid 108 and name HB1) (resid 89 and name HN) 4.15 2.35 2.35 ! 0.3985 1317:10 Ambig 6.18, 6.47 A or (resid 47 and name HE*) (resid 89 and name HN) ! 0.3517 1317:10 ----- 6.31, 7.78 A or (resid 87 and name HB2) (resid 89 and name HN) ! 0.2498 1317:10 ----- 6.68, 7.00 A assign (resid 63 and name HB*) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.9472 1318:10 Intra 2.55, 3.16 A assign (resid 88 and name HB) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.9504 1319:10 Seq 3.91, 4.13 A assign (resid 63 and name HG1) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.0000 1320:10 Intra 3.86, 4.08 A assign (resid 71 and name HB*) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.6642 1321:10 Ambig 5.37, 6.13 A or (resid 64 and name HB) (resid 63 and name HN) ! 0.2397 1321:10 ----- 6.37, 6.54 A assign (resid 101 and name HB*) (resid 100 and name HN) 3.65 1.85 1.85 ! 0.0000 1324:10 Seq 5.74, 6.56 A assign (resid 94 and name HB1) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.5532 1325:10 Ambig 3.82, 3.90 A or (resid 114 and name HB1) (resid 94 and name HN) ! 0.4019 1325:10 ----- 4.03, 5.51 A assign (resid 69 and name HG) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.4828 1326:10 Ambig 5.01, 6.11 A or (resid 92 and name HB*) (resid 94 and name HN) ! 0.3092 1326:10 ----- 5.40, 5.74 A or (resid 115 and name HB2) (resid 94 and name HN) ! 0.2080 1326:10 ----- 5.77, 7.34 A assign (resid 91 and name HB1) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.0000 1327:10 Mid 3.47, 4.02 A assign (resid 91 and name HG2) (resid 94 and name HN) 4.15 2.35 2.35 ! 0.0000 1328:10 Mid 5.03, 5.71 A assign (resid 108 and name HB1) (resid 99 and name HN) 4.15 2.35 2.35 ! 0.5873 1329:10 Ambig 5.66, 5.95 A or (resid 87 and name HB2) (resid 99 and name HN) ! 0.4127 1329:10 ----- 6.01, 6.44 A assign (resid 87 and name HB1) (resid 99 and name HN) 3.65 1.85 1.85 ! 0.7725 1330:10 Ambig 4.62, 5.06 A or (resid 106 and name HB2) (resid 99 and name HN) ! 0.2275 1330:10 ----- 5.67, 6.20 A assign (resid 97 and name HB) (resid 99 and name HN) 3.65 1.85 1.85 ! 0.6017 1331:10 Ambig 5.19, 5.38 A or (resid 101 and name HB*) (resid 99 and name HN) ! 0.3983 1331:10 ----- 5.56, 7.34 A assign (resid 76 and name HB1) (resid 62 and name HN) 4.15 2.35 2.35 ! 0.8936 1332:10 Ambig 5.28, 5.57 A or (resid 59 and name HB1) (resid 62 and name HN) ! 0.1064 1332:10 ----- 7.53, 7.89 A assign (resid 61 and name HB) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.9259 1333:10 Seq 2.72, 3.93 A assign (resid 101 and name HB*) (resid 105 and name HN) 3.15 1.35 1.35 ! 0.0000 1340:10 Mid 2.43, 4.17 A assign (resid 58 and name HG*) (resid 58 and name HN) 2.65 0.85 0.85 ! 0.9979 1341:10 Intra 2.28, 3.35 A assign (resid 58 and name HB2) (resid 58 and name HN) 3.15 1.35 1.35 ! 0.9886 1342:10 Intra 2.56, 3.44 A assign (resid 58 and name HB1) (resid 58 and name HN) 3.15 1.35 1.35 ! 0.0000 1343:10 Intra 3.24, 3.54 A assign (resid 95 and name HG12) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.9599 1347:10 Long 3.65, 3.86 A assign (resid 62 and name HG2*) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.9898 1348:10 Seq 2.16, 4.34 A assign (resid 61 and name HG2*) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.5806 1349:10 Ambig 5.13, 6.65 A or (resid 61 and name HG1*) (resid 63 and name HN) ! 0.2543 1349:10 ----- 5.89, 7.53 A or (resid 110 and name HB2) (resid 63 and name HN) ! 0.0878 1349:10 ----- 7.03, 7.42 A assign (resid 88 and name HG1*) (resid 89 and name HN) 2.65 0.85 0.85 ! 0.9348 1350:10 Seq 2.57, 3.47 A assign (resid 107 and name HG1*) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.7402 1351:10 Ambig 3.38, 4.18 A or (resid 64 and name HD1*) (resid 63 and name HN) ! 0.2320 1351:10 ----- 4.10, 7.05 A assign (resid 107 and name HB) (resid 100 and name HN) 4.15 2.35 2.35 ! 0.0000 1352:10 Long 5.44, 5.94 A assign (resid 113 and name HG2*) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.4180 1353:10 Ambig 5.32, 6.77 A or (resid 95 and name HB) (resid 94 and name HN) ! 0.3626 1353:10 ----- 5.45, 5.80 A or (resid 90 and name HG12) (resid 94 and name HN) ! 0.2194 1353:10 ----- 5.92, 6.43 A assign (resid 91 and name HG1) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.9056 1354:10 Mid 3.78, 4.52 A assign (resid 69 and name HD2*) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.8191 1355:10 Ambig 3.10, 5.15 A or (resid 90 and name HG2*) (resid 94 and name HN) ! 0.1763 1355:10 ----- 4.01, 5.32 A assign (resid 106 and name HG1) (resid 99 and name HN) 3.65 1.85 1.85 ! 0.0000 1356:10 Long 3.84, 4.39 A assign (resid 107 and name HB) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.8291 1358:10 Ambig 3.60, 4.02 A or (resid 107 and name HG1*) (resid 99 and name HN) ! 0.1608 1358:10 ----- 4.73, 5.84 A assign (resid 62 and name HG2*) (resid 62 and name HN) 2.65 0.85 0.85 ! 0.9803 1359:10 Intra 2.26, 3.63 A assign (resid 61 and name HG2*) (resid 62 and name HN) 2.65 0.85 0.85 ! 0.9187 1360:10 Seq 2.64, 3.76 A assign (resid 107 and name HG1*) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.5089 1361:10 Ambig 5.05, 5.45 A or (resid 64 and name HD1*) (resid 62 and name HN) ! 0.4394 1361:10 ----- 5.17, 7.12 A assign (resid 79 and name HB*) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 1366:10 Long 2.58, 4.25 A assign (resid 107 and name HG2*) (resid 63 and name HN) 4.15 2.35 2.35 ! 0.0000 1369:10 Long 5.67, 6.80 A assign (resid 47 and name HG2) (resid 89 and name HN) 4.15 2.35 2.35 ! 0.0000 1370:10 Long 5.44, 5.89 A assign (resid 97 and name HG2*) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.0000 1371:10 Long 4.30, 5.28 A assign (resid 83 and name HG2*) (resid 100 and name HN) 4.15 2.35 2.35 ! 0.0000 1372:10 Long 4.95, 6.12 A assign (resid 107 and name HG2*) (resid 99 and name HN) 3.65 1.85 1.85 ! 0.0000 1373:10 Long 5.09, 6.06 A assign (resid 107 and name HG2*) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.0000 1375:10 Mid 3.85, 5.17 A assign (resid 110 and name HB1) (resid 94 and name HN) 4.15 2.35 2.35 ! 0.5655 1377:10 Ambig 6.18, 6.58 A or (resid 67 and name HB*) (resid 94 and name HN) ! 0.4345 1377:10 ----- 6.46, 7.49 A assign (resid 92 and name HN) (resid 91 and name HE21) 4.15 2.35 2.35 ! 0.0000 1379:10 Seq 3.95, 4.93 A assign (resid 92 and name HN) (resid 91 and name HE22) 4.15 2.35 2.35 ! 0.0000 1380:10 Seq 4.27, 4.62 A assign (resid 98 and name HN) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.0000 1381:10 Long 4.15, 4.48 A assign (resid 83 and name HN) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 1382:10 Seq 4.15, 4.22 A assign (resid 108 and name HN) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.0000 1383:10 Long 3.64, 3.97 A assign (resid 64 and name HN) (resid 65 and name HN) 3.15 1.35 1.35 ! 0.0000 1384:10 Seq 4.33, 4.39 A assign (resid 99 and name HN) (resid 86 and name HN) 4.15 2.35 2.35 ! 0.0000 1386:10 Long 4.80, 5.18 A assign (resid 33 and name HN) (resid 34 and name HN) 3.65 1.85 1.85 ! 0.5950 1387:10 Ambig 1.96, 3.19 A or (resid 14 and name HN) (resid 15 and name HN) ! 0.3807 1387:10 ----- 2.11, 3.56 A assign (resid 55 and name HN) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 1388:10 Long 4.79, 4.92 A assign (resid 56 and name HN) (resid 57 and name HN) 3.15 1.35 1.35 ! 0.0000 1391:10 Seq 1.86, 3.01 A assign (resid 100 and name HN) (resid 100 and name HD22) 3.15 1.35 1.35 ! 0.6894 1392:10 Ambig 3.36, 4.88 A or (resid 101 and name HN) (resid 103 and name HN) ! 0.1908 1392:10 ----- 4.16, 4.58 A or (resid 101 and name HN) (resid 100 and name HD22) ! 0.1198 1392:10 ----- 4.50, 5.73 A assign (resid 100 and name HN) (resid 100 and name HD21) 3.65 1.85 1.85 ! 0.9564 1393:10 Intra 2.16, 4.22 A assign (resid 66 and name HN) (resid 65 and name HN) 3.15 1.35 1.35 ! 0.0000 1394:10 Seq 3.01, 3.15 A assign (resid 87 and name HN) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.9997 1395:10 Seq 1.83, 1.98 A assign (resid 49 and name HN) (resid 86 and name HN) 4.15 2.35 2.35 ! 0.0000 1396:10 Long 5.22, 5.52 A assign (resid 85 and name HD*) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.0000 1397:10 Seq 3.18, 4.77 A assign (resid 81 and name HN) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 1398:10 Seq 4.39, 4.49 A assign (resid 58 and name HN) (resid 57 and name HN) 3.15 1.35 1.35 ! 0.0000 1400:10 Seq 1.86, 2.45 A assign (resid 104 and name HN) (resid 103 and name HN) 3.15 1.35 1.35 ! 0.0000 1401:10 Seq 2.33, 2.44 A assign (resid 105 and name HN) (resid 103 and name HN) 3.15 1.35 1.35 ! 0.0000 1402:10 Mid 3.12, 3.43 A assign (resid 43 and name HN) (resid 91 and name HE22) 4.15 2.35 2.35 ! 0.6972 1404:10 Ambig 4.58, 5.09 A or (resid 45 and name HN) (resid 91 and name HE22) ! 0.3028 1404:10 ----- 5.26, 6.24 A assign (resid 51 and name HN) (resid 86 and name HN) 4.15 2.35 2.35 ! 0.0000 1406:10 Long 4.99, 5.22 A assign (resid 99 and name HD*) (resid 86 and name HN) 4.15 2.35 2.35 ! 0.7976 1407:10 Ambig 4.46, 6.02 A or (resid 85 and name HE*) (resid 86 and name HN) ! 0.2024 1407:10 ----- 5.61, 6.89 A assign (resid 68 and name HD*) (resid 91 and name HE21) 3.15 1.35 1.35 ! 0.9574 1408:10 Long 3.06, 4.28 A assign (resid 58 and name HE22) (resid 57 and name HN) 4.15 2.35 2.35 ! 0.7216 1410:10 Ambig 2.80, 6.40 A or (resid 57 and name HD22) (resid 57 and name HN) ! 0.2784 1410:10 ----- 3.28, 4.96 A assign (resid 103 and name HD22) (resid 103 and name HN) 4.15 2.35 2.35 ! 0.0000 1411:10 Intra 4.33, 5.20 A assign (resid 68 and name HD*) (resid 91 and name HE22) 3.65 1.85 1.85 ! 0.9504 1413:10 Long 3.10, 4.72 A assign (resid 108 and name HE*) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.0000 1414:10 Long 3.31, 5.69 A assign (resid 63 and name HA) (resid 65 and name HN) 4.15 2.35 2.35 ! 0.5495 1417:10 Ambig 5.75, 5.96 A or (resid 108 and name HA) (resid 65 and name HN) ! 0.4505 1417:10 ----- 5.94, 6.17 A assign (resid 85 and name HA) (resid 86 and name HN) 2.65 0.85 0.85 ! 0.8684 1419:10 Ambig 2.10, 2.25 A or (resid 86 and name HA) (resid 86 and name HN) ! 0.1190 1419:10 ----- 2.93, 2.95 A assign (resid 87 and name HA) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.6802 1420:10 Ambig 4.58, 4.69 A or (resid 98 and name HA2) (resid 86 and name HN) ! 0.3198 1420:10 ----- 5.19, 5.58 A assign (resid 99 and name HA) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.0000 1421:10 Long 2.78, 3.20 A assign (resid 82 and name HA) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.0000 1422:10 Intra 2.90, 2.92 A assign (resid 58 and name HA) (resid 57 and name HN) 3.65 1.85 1.85 ! 0.0000 1423:10 Seq 4.40, 4.89 A assign (resid 100 and name HA) (resid 100 and name HD22) 3.65 1.85 1.85 ! 0.0000 1424:10 Intra 3.91, 4.62 A assign (resid 100 and name HA) (resid 100 and name HD21) 3.65 1.85 1.85 ! 0.0000 1425:10 Intra 2.88, 4.06 A assign (resid 64 and name HA) (resid 65 and name HN) 2.30 0.50 0.50 ! 0.0000 1426:10 Seq 2.08, 2.13 A assign (resid 34 and name HA) (resid 34 and name HN) 3.15 1.35 1.35 ! 0.4927 1427:10 Ambig 2.20, 2.74 A or (resid 15 and name HA) (resid 15 and name HN) ! 0.4856 1427:10 ----- 2.21, 2.71 A assign (resid 33 and name HA) (resid 34 and name HN) 2.65 0.85 0.85 ! 0.7601 1428:10 Ambig 2.03, 2.82 A or (resid 15 and name HB) (resid 15 and name HN) ! 0.2399 1428:10 ----- 2.47, 3.07 A assign (resid 14 and name HA) (resid 15 and name HN) 3.15 1.35 1.35 ! 0.8278 1430:10 Ambig 2.10, 2.66 A or (resid 32 and name HA) (resid 34 and name HN) ! 0.0923 1430:10 ----- 3.02, 4.60 A assign (resid 35 and name HA*) (resid 34 and name HN) 4.15 2.35 2.35 ! 0.0000 1431:10 Seq 4.07, 5.04 A assign (resid 25 and name HA) (resid 26 and name HN) 3.15 1.35 1.35 ! 0.3774 1433:10 Ambig 2.05, 2.87 A or (resid 21 and name HA) (resid 22 and name HN) ! 0.3571 1433:10 ----- 2.07, 2.68 A or (resid 22 and name HA) (resid 22 and name HN) ! 0.2617 1433:10 ----- 2.18, 2.67 A assign (resid 81 and name HA) (resid 82 and name HN) 2.30 0.50 0.50 ! 0.9995 1434:10 Seq 2.08, 2.13 A assign (resid 91 and name HA) (resid 91 and name HE21) 4.15 2.35 2.35 ! 0.9641 1437:10 Intra 2.84, 4.12 A assign (resid 43 and name HA1) (resid 91 and name HE21) 4.15 2.35 2.35 ! 0.0000 1438:10 Long 4.80, 5.29 A assign (resid 44 and name HA) (resid 91 and name HE21) 4.15 2.35 2.35 ! 0.9789 1439:10 Long 3.29, 4.49 A assign (resid 57 and name HA) (resid 57 and name HN) 3.15 1.35 1.35 ! 0.0000 1441:10 Intra 2.85, 2.91 A assign (resid 101 and name HA) (resid 103 and name HN) 3.65 1.85 1.85 ! 0.0000 1443:10 Mid 3.97, 4.31 A assign (resid 103 and name HA) (resid 103 and name HN) 2.65 0.85 0.85 ! 0.0000 1444:10 Intra 2.86, 2.90 A assign (resid 91 and name HA) (resid 91 and name HE22) 3.65 1.85 1.85 ! 0.7740 1445:10 Ambig 3.47, 4.17 A or (resid 42 and name HA) (resid 91 and name HE22) ! 0.2260 1445:10 ----- 4.26, 4.94 A assign (resid 44 and name HA) (resid 91 and name HE22) 3.65 1.85 1.85 ! 0.9906 1446:10 Long 3.39, 4.08 A assign (resid 43 and name HA1) (resid 91 and name HE22) 3.65 1.85 1.85 ! 0.0000 1447:10 Long 3.19, 3.71 A assign (resid 65 and name HA1) (resid 65 and name HN) 2.65 0.85 0.85 ! 0.9692 1448:10 Intra 2.81, 2.84 A assign (resid 85 and name HB2) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.9992 1449:10 Seq 2.26, 2.62 A assign (resid 99 and name HB2) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.0000 1450:10 Long 3.87, 4.45 A assign (resid 14 and name HB*) (resid 15 and name HN) 4.15 2.35 2.35 ! 0.8587 1451:10 Ambig 1.94, 3.78 A or (resid 13 and name HB*) (resid 15 and name HN) ! 0.0782 1451:10 ----- 2.89, 5.64 A assign (resid 82 and name HB) (resid 82 and name HN) 2.65 0.85 0.85 ! 0.9933 1452:10 Intra 2.43, 2.53 A assign (resid 56 and name HA1) (resid 57 and name HN) 2.65 0.85 0.85 ! 0.9990 1455:10 Seq 2.08, 2.54 A assign (resid 104 and name HA1) (resid 103 and name HN) 3.65 1.85 1.85 ! 0.0000 1456:10 Seq 4.92, 5.08 A assign (resid 42 and name HB2) (resid 91 and name HE22) 4.15 2.35 2.35 ! 0.0000 1457:10 Long 3.36, 4.32 A assign (resid 43 and name HA2) (resid 91 and name HE22) 4.15 2.35 2.35 ! 0.0000 1458:10 Long 4.62, 5.14 A assign (resid 108 and name HB2) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.5070 1459:10 Ambig 4.58, 4.96 A or (resid 105 and name HB2) (resid 65 and name HN) ! 0.4365 1459:10 ----- 4.70, 6.35 A assign (resid 105 and name HB1) (resid 65 and name HN) 4.15 2.35 2.35 ! 0.9187 1460:10 Long 3.48, 5.94 A assign (resid 86 and name HB2) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.5693 1461:10 Ambig 2.63, 3.20 A or (resid 99 and name HB1) (resid 86 and name HN) ! 0.4062 1461:10 ----- 2.78, 3.49 A assign (resid 85 and name HB1) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.9177 1462:10 Seq 3.52, 3.75 A assign (resid 86 and name HB1) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.0000 1463:10 Intra 2.23, 2.78 A assign (resid 91 and name HB2) (resid 91 and name HE21) 3.65 1.85 1.85 ! 0.9951 1465:10 Intra 1.90, 2.95 A assign (resid 57 and name HB*) (resid 57 and name HN) 2.65 0.85 0.85 ! 0.9899 1467:10 Intra 2.36, 3.12 A assign (resid 103 and name HB2) (resid 103 and name HN) 3.15 1.35 1.35 ! 0.9497 1468:10 Intra 2.44, 3.00 A assign (resid 103 and name HB1) (resid 103 and name HN) 3.15 1.35 1.35 ! 0.8974 1469:10 Ambig 2.39, 2.75 A or (resid 100 and name HB1) (resid 100 and name HD22) ! 0.0978 1469:10 ----- 3.47, 3.68 A assign (resid 100 and name HB2) (resid 100 and name HD22) 3.15 1.35 1.35 ! 0.0000 1470:10 Intra 3.46, 3.72 A assign (resid 100 and name HB2) (resid 100 and name HD21) 3.15 1.35 1.35 ! 0.0000 1472:10 Intra 2.21, 2.78 A assign (resid 100 and name HB1) (resid 100 and name HD21) 3.15 1.35 1.35 ! 0.0000 1473:10 Intra 2.20, 2.69 A assign (resid 91 and name HB2) (resid 91 and name HE22) 3.65 1.85 1.85 ! 0.9228 1474:10 Intra 3.49, 3.95 A assign (resid 42 and name HB1) (resid 91 and name HE22) 4.15 2.35 2.35 ! 0.9836 1475:10 Long 3.06, 3.72 A assign (resid 63 and name HB*) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.4498 1476:10 Ambig 5.29, 5.64 A or (resid 72 and name HG*) (resid 65 and name HN) ! 0.3590 1476:10 ----- 5.50, 6.80 A or (resid 108 and name HB1) (resid 65 and name HN) ! 0.1912 1476:10 ----- 6.10, 6.48 A assign (resid 106 and name HB2) (resid 65 and name HN) 4.15 2.35 2.35 ! 0.0000 1477:10 Long 4.73, 5.23 A assign (resid 106 and name HB1) (resid 65 and name HN) 3.15 1.35 1.35 ! 0.8418 1478:10 Ambig 3.07, 3.63 A or (resid 64 and name HB) (resid 65 and name HN) ! 0.1582 1478:10 ----- 4.05, 4.25 A assign (resid 87 and name HB2) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.9770 1479:10 Seq 3.97, 4.48 A assign (resid 87 and name HB1) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.9827 1480:10 Seq 3.89, 4.13 A assign (resid 97 and name HB) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.0000 1481:10 Long 4.47, 4.93 A assign (resid 33 and name HB) (resid 34 and name HN) 3.65 1.85 1.85 ! 0.7057 1482:10 Ambig 2.12, 4.00 A or (resid 119 and name HB1) (resid 34 and name HN) ! 0.2943 1482:10 ----- 2.46, 6.86 A assign (resid 21 and name HB*) (resid 22 and name HN) 4.15 2.35 2.35 ! 0.0000 1485:10 Seq 1.86, 3.85 A assign (resid 83 and name HB) (resid 82 and name HN) 4.15 2.35 2.35 ! 0.5323 1486:10 Ambig 5.68, 5.91 A or (resid 77 and name HG) (resid 82 and name HN) ! 0.3124 1486:10 ----- 6.21, 6.75 A or (resid 54 and name HB) (resid 82 and name HN) ! 0.1553 1486:10 ----- 6.98, 7.38 A assign (resid 91 and name HG2) (resid 91 and name HE21) 3.15 1.35 1.35 ! 0.9968 1488:10 Intra 2.19, 2.31 A assign (resid 58 and name HG*) (resid 57 and name HN) 4.15 2.35 2.35 ! 0.0000 1489:10 Seq 2.66, 4.76 A assign (resid 58 and name HB2) (resid 57 and name HN) 4.15 2.35 2.35 ! 0.0000 1490:10 Seq 3.73, 5.48 A assign (resid 58 and name HB1) (resid 57 and name HN) 4.15 2.35 2.35 ! 0.0000 1491:10 Seq 4.42, 5.34 A assign (resid 101 and name HB*) (resid 103 and name HN) 3.15 1.35 1.35 ! 0.0000 1492:10 Mid 2.61, 3.52 A assign (resid 92 and name HB*) (resid 91 and name HE22) 4.15 2.35 2.35 ! 0.5945 1493:10 Ambig 5.54, 6.72 A or (resid 69 and name HG) (resid 91 and name HE22) ! 0.4055 1493:10 ----- 5.90, 7.92 A assign (resid 91 and name HG2) (resid 91 and name HE22) 3.15 1.35 1.35 ! 0.0000 1494:10 Intra 3.47, 3.52 A assign (resid 64 and name HG12) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.0000 1495:10 Seq 4.26, 4.58 A assign (resid 106 and name HG1) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.0000 1496:10 Long 3.36, 4.18 A assign (resid 64 and name HG2*) (resid 65 and name HN) 2.65 0.85 0.85 ! 0.0000 1497:10 Seq 2.73, 3.61 A assign (resid 84 and name HG2*) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.6241 1498:10 Ambig 4.87, 6.20 A or (resid 84 and name HG1*) (resid 86 and name HN) ! 0.3759 1498:10 ----- 5.30, 6.78 A assign (resid 15 and name HG2*) (resid 15 and name HN) 3.15 1.35 1.35 ! 0.7282 1499:10 Ambig 2.01, 4.18 A or (resid 34 and name HG2*) (resid 34 and name HN) ! 0.2718 1499:10 ----- 2.37, 4.22 A assign (resid 33 and name HG2*) (resid 34 and name HN) 3.15 1.35 1.35 ! 0.6893 1500:10 Ambig 2.12, 4.34 A or (resid 33 and name HG1*) (resid 34 and name HN) ! 0.2862 1500:10 ----- 2.46, 4.62 A assign (resid 81 and name HB*) (resid 82 and name HN) 2.65 0.85 0.85 ! 0.0000 1501:10 Seq 2.76, 3.77 A assign (resid 82 and name HG2*) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.9642 1502:10 Intra 2.08, 4.47 A assign (resid 83 and name HD1*) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.6902 1503:10 Ambig 3.75, 4.97 A or (resid 54 and name HG1*) (resid 82 and name HN) ! 0.3098 1503:10 ----- 4.29, 5.89 A assign (resid 91 and name HG1) (resid 91 and name HE21) 3.15 1.35 1.35 ! 0.7600 1504:10 Ambig 2.28, 3.41 A or (resid 44 and name HG2*) (resid 91 and name HE21) ! 0.2400 1504:10 ----- 2.76, 4.80 A assign (resid 79 and name HB*) (resid 57 and name HN) 3.65 1.85 1.85 ! 0.0000 1505:10 Long 3.52, 5.25 A assign (resid 91 and name HG1) (resid 91 and name HE22) 3.15 1.35 1.35 ! 0.6941 1506:10 Ambig 3.50, 4.03 A or (resid 44 and name HG2*) (resid 91 and name HE22) ! 0.3059 1506:10 ----- 4.02, 5.36 A assign (resid 107 and name HG2*) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.0000 1507:10 Long 3.38, 5.16 A assign (resid 97 and name HD1*) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.5356 1508:10 Ambig 5.49, 6.97 A or (resid 83 and name HG2*) (resid 86 and name HN) ! 0.4644 1508:10 ----- 5.63, 6.67 A assign (resid 97 and name HG2*) (resid 86 and name HN) 4.15 2.35 2.35 ! 0.0000 1509:10 Long 6.16, 7.14 A assign (resid 96 and name HN) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.0000 1511:10 Seq 4.28, 4.34 A assign (resid 109 and name HN) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.0000 1513:10 Long 2.64, 2.71 A assign (resid 89 and name HN) (resid 97 and name HN) 4.15 2.35 2.35 ! 0.9041 1514:10 Long 4.77, 4.84 A assign (resid 65 and name HN) (resid 66 and name HN) 3.15 1.35 1.35 ! 0.9865 1515:10 Seq 3.01, 3.15 A assign (resid 73 and name HN) (resid 74 and name HN) 3.65 1.85 1.85 ! 0.0000 1516:10 Seq 4.41, 4.49 A assign (resid 111 and name HN) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.8389 1517:10 Ambig 4.65, 4.84 A or (resid 99 and name HN) (resid 97 and name HN) ! 0.1611 1517:10 ----- 6.13, 6.34 A assign (resid 55 and name HN) (resid 56 and name HN) 3.65 1.85 1.85 ! 0.0000 1518:10 Seq 4.47, 4.57 A assign (resid 31 and name HN) (resid 30 and name HN) 3.65 1.85 1.85 ! 0.9342 1521:10 Seq 1.82, 2.57 A assign (resid 108 and name HN) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.0000 1522:10 Long 4.75, 5.15 A assign (resid 64 and name HN) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.0000 1523:10 Mid 3.95, 4.12 A assign (resid 121 and name HN) (resid 120 and name HD21) 4.15 2.35 2.35 ! 0.0000 1524:10 Seq 4.58, 5.68 A assign (resid 120 and name HN) (resid 120 and name HD21) 3.65 1.85 1.85 ! 0.0000 1525:10 Intra 2.24, 4.20 A assign (resid 120 and name HN) (resid 120 and name HD22) 4.15 2.35 2.35 ! 0.0000 1526:10 Intra 3.30, 5.13 A assign (resid 62 and name HN) (resid 74 and name HN) 4.15 2.35 2.35 ! 0.0000 1531:10 Long 4.34, 4.91 A assign (resid 95 and name HN) (resid 97 and name HN) 4.15 2.35 2.35 ! 0.6782 1532:10 Ambig 6.27, 6.52 A or (resid 87 and name HN) (resid 97 and name HN) ! 0.3218 1532:10 ----- 7.10, 7.45 A assign (resid 57 and name HN) (resid 56 and name HN) 3.15 1.35 1.35 ! 0.9995 1533:10 Seq 1.86, 3.01 A assign (resid 58 and name HN) (resid 56 and name HN) 3.65 1.85 1.85 ! 0.0000 1534:10 Mid 3.34, 3.87 A assign (resid 75 and name HN) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.0000 1539:10 Seq 1.83, 2.07 A assign (resid 96 and name HE3) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.8839 1540:10 Ambig 3.81, 4.13 A or (resid 130 and name HE*) (resid 97 and name HN) ! 0.0973 1540:10 ----- 5.50, 7.57 A assign (resid 112 and name HN) (resid 97 and name HN) 4.15 2.35 2.35 ! 0.7519 1541:10 Ambig 5.91, 6.16 A or (resid 85 and name HE*) (resid 97 and name HN) ! 0.2481 1541:10 ----- 7.11, 7.66 A assign (resid 58 and name HE21) (resid 56 and name HN) 3.65 1.85 1.85 ! 0.8855 1543:10 Ambig 2.97, 6.12 A or (resid 128 and name HN) (resid 56 and name HN) ! 0.0891 1543:10 ----- 4.36, 4.92 A assign (resid 68 and name HD*) (resid 66 and name HN) 4.15 2.35 2.35 ! 0.4933 1544:10 Ambig 4.89, 7.15 A or (resid 68 and name HE*) (resid 66 and name HN) ! 0.3096 1544:10 ----- 5.28, 7.82 A or (resid 42 and name HD*) (resid 66 and name HN) ! 0.1380 1544:10 ----- 6.04, 7.65 A assign (resid 99 and name HE*) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.8129 1550:10 Ambig 4.61, 7.12 A or (resid 108 and name HE*) (resid 97 and name HN) ! 0.1871 1550:10 ----- 5.89, 7.51 A assign (resid 108 and name HD*) (resid 66 and name HN) 2.65 0.85 0.85 ! 0.5655 1551:10 Ambig 2.94, 5.12 A or (resid 108 and name HE*) (resid 66 and name HN) ! 0.4345 1551:10 ----- 3.07, 5.67 A assign (resid 63 and name HA) (resid 74 and name HN) 3.65 1.85 1.85 ! 0.7834 1553:10 Ambig 4.43, 4.94 A or (resid 76 and name HA) (resid 74 and name HN) ! 0.2166 1553:10 ----- 5.49, 5.89 A assign (resid 96 and name HA) (resid 97 and name HN) 2.65 0.85 0.85 ! 0.8640 1555:10 Ambig 2.07, 2.12 A or (resid 97 and name HA) (resid 97 and name HN) ! 0.1111 1555:10 ----- 2.91, 2.92 A assign (resid 98 and name HA2) (resid 97 and name HN) 4.15 2.35 2.35 ! 0.9160 1556:10 Seq 4.84, 4.97 A assign (resid 63 and name HA) (resid 66 and name HN) 4.15 2.35 2.35 ! 0.7890 1559:10 Ambig 5.42, 5.60 A or (resid 108 and name HA) (resid 66 and name HN) ! 0.2110 1559:10 ----- 6.76, 7.00 A assign (resid 120 and name HA) (resid 120 and name HD21) 3.65 1.85 1.85 ! 0.0000 1560:10 Intra 2.83, 4.22 A assign (resid 120 and name HA) (resid 120 and name HD22) 4.15 2.35 2.35 ! 0.0000 1561:10 Intra 3.84, 4.58 A assign (resid 74 and name HA2) (resid 74 and name HN) 2.65 0.85 0.85 ! 0.5226 1565:10 Ambig 2.44, 2.46 A or (resid 73 and name HA) (resid 74 and name HN) ! 0.4618 1565:10 ----- 2.49, 2.56 A assign (resid 111 and name HA) (resid 97 and name HN) 4.15 2.35 2.35 ! 0.0000 1566:10 Long 6.06, 6.15 A assign (resid 110 and name HA) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.8730 1567:10 Ambig 4.18, 4.37 A or (resid 110 and name HD1) (resid 97 and name HN) ! 0.1270 1567:10 ----- 5.77, 5.90 A assign (resid 55 and name HA) (resid 56 and name HN) 2.65 0.85 0.85 ! 0.8341 1569:10 Ambig 2.13, 2.22 A or (resid 56 and name HA2) (resid 56 and name HN) ! 0.1659 1569:10 ----- 2.79, 2.90 A assign (resid 29 and name HA) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.3941 1572:10 Ambig 2.09, 2.93 A or (resid 11 and name HA) (resid 11 and name HN) ! 0.3059 1572:10 ----- 2.18, 2.75 A or (resid 30 and name HA) (resid 30 and name HN) ! 0.2664 1572:10 ----- 2.23, 2.63 A assign (resid 30 and name HB) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.9615 1573:10 Intra 2.49, 3.27 A assign (resid 10 and name HA*) (resid 11 and name HN) 3.15 1.35 1.35 ! 0.0000 1574:10 Seq 2.10, 2.91 A assign (resid 65 and name HA2) (resid 66 and name HN) 3.15 1.35 1.35 ! 0.9823 1576:10 Seq 3.45, 3.48 A assign (resid 66 and name HA) (resid 66 and name HN) 3.15 1.35 1.35 ! 0.0000 1577:10 Intra 2.86, 2.90 A assign (resid 75 and name HA1) (resid 74 and name HN) 3.65 1.85 1.85 ! 0.0000 1583:10 Seq 4.28, 4.44 A assign (resid 74 and name HA1) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.0000 1584:10 Intra 2.94, 2.95 A assign (resid 96 and name HB2) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.7450 1586:10 Ambig 3.93, 4.04 A or (resid 109 and name HB2) (resid 97 and name HN) ! 0.2550 1586:10 ----- 4.69, 4.80 A assign (resid 56 and name HA1) (resid 56 and name HN) 2.65 0.85 0.85 ! 0.0000 1587:10 Intra 2.24, 2.40 A assign (resid 72 and name HD1) (resid 66 and name HN) 4.15 2.35 2.35 ! 0.0000 1589:10 Long 4.50, 5.00 A assign (resid 66 and name HB2) (resid 66 and name HN) 2.65 0.85 0.85 ! 0.4670 1590:10 Ambig 2.80, 2.88 A or (resid 65 and name HA1) (resid 66 and name HN) ! 0.2963 1590:10 ----- 3.02, 3.09 A or (resid 72 and name HD2) (resid 66 and name HN) ! 0.2367 1590:10 ----- 3.13, 3.42 A assign (resid 66 and name HB1) (resid 66 and name HN) 3.15 1.35 1.35 ! 0.0000 1591:10 Intra 3.85, 3.91 A assign (resid 63 and name HD1) (resid 66 and name HN) 4.15 2.35 2.35 ! 0.5001 1592:10 Ambig 6.22, 6.82 A or (resid 68 and name HB2) (resid 66 and name HN) ! 0.4999 1592:10 ----- 6.22, 6.47 A assign (resid 119 and name HD2) (resid 120 and name HD21) 4.15 2.35 2.35 ! 0.9488 1593:10 Seq 2.62, 5.09 A assign (resid 63 and name HG2) (resid 74 and name HN) 4.15 2.35 2.35 ! 0.5043 1595:10 Ambig 6.31, 7.07 A or (resid 72 and name HB2) (resid 74 and name HN) ! 0.4957 1595:10 ----- 6.33, 6.55 A assign (resid 96 and name HB1) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.9946 1596:10 Seq 2.88, 3.10 A assign (resid 109 and name HB1) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.9561 1597:10 Long 3.32, 3.43 A assign (resid 55 and name HB2) (resid 56 and name HN) 3.65 1.85 1.85 ! 0.0000 1598:10 Seq 3.96, 4.11 A assign (resid 55 and name HB1) (resid 56 and name HN) 3.65 1.85 1.85 ! 0.0000 1599:10 Seq 3.68, 4.00 A assign (resid 108 and name HB2) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.7133 1601:10 Ambig 4.27, 4.58 A or (resid 67 and name HD2) (resid 66 and name HN) ! 0.2629 1601:10 ----- 5.04, 5.24 A assign (resid 72 and name HB2) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.9066 1602:10 Long 4.41, 4.79 A assign (resid 120 and name HB2) (resid 120 and name HD21) 3.15 1.35 1.35 ! 0.0000 1603:10 Intra 2.18, 2.58 A assign (resid 120 and name HB1) (resid 120 and name HD21) 3.15 1.35 1.35 ! 0.0000 1604:10 Intra 2.19, 2.68 A assign (resid 120 and name HB2) (resid 120 and name HD22) 3.15 1.35 1.35 ! 0.0000 1607:10 Intra 3.44, 3.63 A assign (resid 120 and name HB1) (resid 120 and name HD22) 3.15 1.35 1.35 ! 0.0000 1608:10 Intra 3.47, 3.68 A assign (resid 73 and name HB) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.0000 1612:10 Seq 2.04, 2.95 A assign (resid 108 and name HB1) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.0000 1614:10 Long 3.99, 4.20 A assign (resid 111 and name HB) (resid 97 and name HN) 4.15 2.35 2.35 ! 0.0000 1615:10 Long 5.60, 5.81 A assign (resid 97 and name HG12) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.0000 1616:10 Intra 2.20, 2.25 A assign (resid 54 and name HB) (resid 56 and name HN) 4.15 2.35 2.35 ! 0.0000 1617:10 Mid 5.45, 5.92 A assign (resid 60 and name HG12) (resid 56 and name HN) 4.15 2.35 2.35 ! 0.0000 1618:10 Mid 5.54, 6.18 A assign (resid 63 and name HB*) (resid 66 and name HN) 3.15 1.35 1.35 ! 0.5356 1620:10 Ambig 3.80, 4.30 A or (resid 72 and name HG*) (resid 66 and name HN) ! 0.4197 1620:10 ----- 3.96, 5.19 A assign (resid 71 and name HB*) (resid 66 and name HN) 3.15 1.35 1.35 ! 0.8104 1621:10 Ambig 3.49, 4.59 A or (resid 64 and name HB) (resid 66 and name HN) ! 0.1188 1621:10 ----- 4.81, 4.93 A assign (resid 64 and name HG12) (resid 74 and name HN) 4.15 2.35 2.35 ! 0.0000 1633:10 Long 5.79, 6.07 A assign (resid 73 and name HG2*) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.5068 1634:10 Ambig 1.83, 3.68 A or (resid 73 and name HG1*) (resid 74 and name HN) ! 0.4932 1634:10 ----- 1.83, 3.99 A assign (resid 64 and name HD1*) (resid 74 and name HN) 3.65 1.85 1.85 ! 0.9747 1635:10 Long 3.83, 5.16 A assign (resid 97 and name HG11) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.9929 1636:10 Intra 2.91, 2.97 A assign (resid 60 and name HD1*) (resid 56 and name HN) 3.65 1.85 1.85 ! 0.7054 1638:10 Ambig 3.56, 5.26 A or (resid 79 and name HB*) (resid 56 and name HN) ! 0.2309 1638:10 ----- 4.29, 6.11 A assign (resid 11 and name HG2*) (resid 11 and name HN) 3.65 1.85 1.85 ! 0.6255 1641:10 Ambig 1.93, 4.10 A or (resid 30 and name HG2*) (resid 30 and name HN) ! 0.2924 1641:10 ----- 2.19, 4.30 A assign (resid 64 and name HG11) (resid 66 and name HN) 4.15 2.35 2.35 ! 0.0000 1643:10 Mid 6.02, 6.17 A assign (resid 64 and name HG2*) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.0000 1644:10 Mid 4.52, 5.54 A assign (resid 111 and name HG2*) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.8845 1646:10 Ambig 3.17, 4.27 A or (resid 97 and name HD1*) (resid 97 and name HN) ! 0.1155 1646:10 ----- 4.45, 4.68 A assign (resid 97 and name HG2*) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.0000 1647:10 Intra 2.67, 3.60 A assign (resid 111 and name HG1*) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.0000 1648:10 Long 3.32, 4.29 A assign (resid 67 and name HB*) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.6051 1651:10 Ambig 5.81, 6.80 A or (resid 110 and name HB1) (resid 97 and name HN) ! 0.3949 1651:10 ----- 6.24, 6.44 A assign (resid 67 and name HB*) (resid 66 and name HN) 4.15 2.35 2.35 ! 0.0000 1652:10 Seq 5.71, 6.45 A assign (resid 127 and name HE1) (resid 113 and name HN) 4.15 2.35 2.35 ! 0.0000 1653:10 Long 5.18, 6.04 A assign (resid 77 and name HN) (resid 76 and name HD21) 4.15 2.35 2.35 ! 0.0000 1654:10 Seq 2.87, 4.46 A assign (resid 53 and name HN) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.0000 1655:10 Seq 4.41, 4.45 A assign (resid 131 and name HN) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.0000 1656:10 Long 3.07, 3.34 A assign (resid 122 and name HN) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.8392 1659:10 Ambig 4.32, 4.79 A or (resid 91 and name HN) (resid 116 and name HN) ! 0.1608 1659:10 ----- 5.69, 7.94 A assign (resid 125 and name HN) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.7823 1660:10 Ambig 2.74, 3.49 A or (resid 124 and name HN) (resid 113 and name HN) ! 0.1936 1660:10 ----- 3.46, 4.02 A assign (resid 113 and name HN) (resid 124 and name HN) 3.65 1.85 1.85 ! 0.9024 1661:10 Long 3.46, 4.02 A assign (resid 85 and name HN) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.0000 1662:10 Long 4.74, 4.87 A assign (resid 40 and name HN) (resid 40 and name HD21) 3.65 1.85 1.85 ! 0.0000 1663:10 Intra 3.91, 4.62 A assign (resid 55 and name HN) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.0000 1664:10 Long 3.75, 4.29 A assign (resid 79 and name HN) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.9589 1665:10 Seq 4.43, 4.55 A assign (resid 56 and name HN) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.0000 1666:10 Long 3.57, 4.31 A assign (resid 85 and name HN) (resid 50 and name HD21) 4.15 2.35 2.35 ! 0.6674 1667:10 Ambig 3.77, 5.24 A or (resid 86 and name HN) (resid 50 and name HD21) ! 0.3326 1667:10 ----- 4.23, 5.01 A assign (resid 40 and name HN) (resid 40 and name HD22) 4.15 2.35 2.35 ! 0.0000 1669:10 Intra 4.08, 5.50 A assign (resid 69 and name HN) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.0000 1670:10 Seq 2.11, 2.23 A assign (resid 106 and name HN) (resid 105 and name HD21) 3.65 1.85 1.85 ! 0.0000 1672:10 Seq 2.55, 4.64 A assign (resid 76 and name HN) (resid 76 and name HD21) 4.15 2.35 2.35 ! 0.0000 1673:10 Intra 4.21, 4.64 A assign (resid 106 and name HN) (resid 105 and name HD22) 4.15 2.35 2.35 ! 0.0000 1678:10 Seq 3.69, 5.00 A assign (resid 85 and name HN) (resid 50 and name HD22) 4.15 2.35 2.35 ! 0.7233 1679:10 Ambig 4.15, 5.34 A or (resid 86 and name HN) (resid 50 and name HD22) ! 0.2767 1679:10 ----- 4.87, 5.73 A assign (resid 69 and name HN) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.9687 1683:10 Seq 4.14, 4.19 A assign (resid 115 and name HN) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.0000 1685:10 Seq 4.22, 4.39 A assign (resid 117 and name HN) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.0000 1686:10 Seq 4.07, 4.38 A assign (resid 95 and name HN) (resid 113 and name HN) 4.15 2.35 2.35 ! 0.0000 1687:10 Long 5.04, 5.29 A assign (resid 114 and name HN) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.9586 1688:10 Seq 4.22, 4.56 A assign (resid 127 and name HZ2) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.0000 1689:10 Long 4.29, 4.86 A assign (resid 114 and name HN) (resid 124 and name HN) 3.65 1.85 1.85 ! 0.0000 1690:10 Long 4.52, 4.81 A assign (resid 130 and name HD*) (resid 52 and name HN) 4.15 2.35 2.35 ! 0.7552 1691:10 Ambig 5.28, 7.31 A or (resid 50 and name HD21) (resid 52 and name HN) ! 0.2448 1691:10 ----- 6.37, 7.78 A assign (resid 81 and name HN) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.0000 1698:10 Seq 2.17, 2.37 A assign (resid 50 and name HN) (resid 50 and name HD21) 3.65 1.85 1.85 ! 0.8469 1699:10 Ambig 4.00, 4.74 A or (resid 87 and name HN) (resid 50 and name HD21) ! 0.1531 1699:10 ----- 5.32, 6.02 A assign (resid 57 and name HN) (resid 57 and name HD21) 3.65 1.85 1.85 ! 0.0000 1705:10 Intra 1.86, 4.31 A assign (resid 105 and name HN) (resid 105 and name HD21) 3.65 1.85 1.85 ! 0.0000 1707:10 Intra 2.42, 4.51 A assign (resid 42 and name HN) (resid 41 and name HE21) 4.15 2.35 2.35 ! 0.0000 1708:10 Seq 4.48, 5.77 A assign (resid 105 and name HN) (resid 105 and name HD22) 4.15 2.35 2.35 ! 0.0000 1709:10 Intra 3.91, 5.30 A assign (resid 6 and name HN) (resid 5 and name HD22) 4.15 2.35 2.35 ! 0.7675 1710:10 Ambig 3.61, 5.18 A or (resid 50 and name HN) (resid 50 and name HD22) ! 0.1744 1710:10 ----- 4.62, 5.75 A assign (resid 57 and name HN) (resid 57 and name HD22) 4.15 2.35 2.35 ! 0.0000 1715:10 Intra 3.28, 4.96 A assign (resid 70 and name HN) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.0000 1717:10 Mid 4.68, 4.87 A assign (resid 114 and name HN) (resid 112 and name HN) 4.15 2.35 2.35 ! 0.0000 1718:10 Mid 4.89, 5.81 A assign (resid 130 and name HE*) (resid 113 and name HN) 4.15 2.35 2.35 ! 0.5102 1723:10 Ambig 6.24, 7.81 A or (resid 127 and name HD1) (resid 113 and name HN) ! 0.4898 1723:10 ----- 6.28, 7.10 A assign (resid 127 and name HZ3) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.6714 1724:10 Ambig 3.68, 4.74 A or (resid 112 and name HN) (resid 113 and name HN) ! 0.3286 1724:10 ----- 4.14, 4.23 A assign (resid 51 and name HN) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.9410 1727:10 Seq 4.28, 4.34 A assign (resid 85 and name HE*) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.0000 1728:10 Long 4.10, 5.17 A assign (resid 42 and name HD*) (resid 40 and name HD21) 3.15 1.35 1.35 ! 0.8051 1731:10 Ambig 2.21, 5.40 A or (resid 46 and name HD*) (resid 40 and name HD21) ! 0.1949 1731:10 ----- 2.80, 4.98 A assign (resid 46 and name HE*) (resid 40 and name HD21) 3.65 1.85 1.85 ! 0.0000 1732:10 Long 3.18, 5.17 A assign (resid 55 and name HD21) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.7717 1733:10 Ambig 3.35, 4.04 A or (resid 55 and name HD22) (resid 80 and name HN) ! 0.2283 1733:10 ----- 4.10, 4.51 A assign (resid 71 and name HN) (resid 70 and name HN) 2.65 0.85 0.85 ! 0.0000 1736:10 Seq 2.37, 2.52 A assign (resid 70 and name HD22) (resid 70 and name HN) 4.15 2.35 2.35 ! 0.0000 1737:10 Intra 4.01, 5.23 A assign (resid 103 and name HD22) (resid 105 and name HD22) 4.15 2.35 2.35 ! 0.0000 1747:10 Mid 3.46, 5.19 A assign (resid 71 and name HN) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.8400 1749:10 Ambig 3.82, 3.96 A or (resid 96 and name HD1) (resid 68 and name HN) ! 0.1600 1749:10 ----- 5.04, 6.07 A assign (resid 68 and name HD*) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.7778 1750:10 Ambig 3.84, 4.61 A or (resid 96 and name HE3) (resid 68 and name HN) ! 0.1597 1750:10 ----- 5.00, 5.18 A assign (resid 94 and name HD2) (resid 113 and name HN) 4.15 2.35 2.35 ! 0.0000 1751:10 Long 3.11, 3.44 A assign (resid 130 and name HA) (resid 52 and name HN) 4.15 2.35 2.35 ! 0.0000 1755:10 Long 4.88, 5.18 A assign (resid 53 and name HA) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.7636 1756:10 Ambig 4.87, 5.00 A or (resid 50 and name HA) (resid 52 and name HN) ! 0.1827 1756:10 ----- 6.18, 6.31 A assign (resid 52 and name HA) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.0000 1757:10 Intra 2.91, 2.93 A assign (resid 40 and name HA) (resid 40 and name HD21) 3.65 1.85 1.85 ! 0.0000 1758:10 Intra 3.03, 4.08 A assign (resid 59 and name HA) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.0000 1759:10 Long 5.24, 5.94 A assign (resid 50 and name HA) (resid 50 and name HD21) 3.15 1.35 1.35 ! 0.5956 1760:10 Ambig 1.86, 2.85 A or (resid 86 and name HA) (resid 50 and name HD21) ! 0.4010 1760:10 ----- 1.98, 2.88 A assign (resid 58 and name HA) (resid 58 and name HE21) 4.15 2.35 2.35 ! 0.9939 1762:10 Intra 1.72, 4.49 A assign (resid 40 and name HA) (resid 40 and name HD22) 3.65 1.85 1.85 ! 0.0000 1763:10 Intra 4.03, 4.65 A assign (resid 70 and name HA) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.9916 1764:10 Intra 2.92, 2.94 A assign (resid 76 and name HA) (resid 76 and name HD21) 3.65 1.85 1.85 ! 0.0000 1765:10 Intra 1.93, 4.12 A assign (resid 86 and name HA) (resid 50 and name HD22) 3.15 1.35 1.35 ! 0.8906 1766:10 Ambig 2.36, 3.98 A or (resid 50 and name HA) (resid 50 and name HD22) ! 0.0997 1766:10 ----- 3.40, 3.88 A assign (resid 63 and name HA) (resid 68 and name HN) 4.15 2.35 2.35 ! 0.5810 1768:10 Ambig 6.28, 6.52 A or (resid 96 and name HA) (resid 68 and name HN) ! 0.2485 1768:10 ----- 7.24, 7.69 A or (resid 108 and name HA) (resid 68 and name HN) ! 0.1704 1768:10 ----- 7.70, 7.94 A assign (resid 115 and name HA) (resid 116 and name HN) 2.65 0.85 0.85 ! 0.0000 1769:10 Seq 2.15, 2.35 A assign (resid 116 and name HA2) (resid 116 and name HN) 2.65 0.85 0.85 ! 0.9768 1770:10 Intra 2.43, 2.55 A assign (resid 126 and name HA) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.8293 1772:10 Ambig 3.54, 3.84 A or (resid 123 and name HA) (resid 113 and name HN) ! 0.0929 1772:10 ----- 5.09, 5.67 A assign (resid 113 and name HA) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.9749 1773:10 Intra 2.79, 2.83 A assign (resid 34 and name HA) (resid 35 and name HN) 3.15 1.35 1.35 ! 0.9786 1775:10 Seq 2.14, 2.75 A assign (resid 35 and name HA*) (resid 35 and name HN) 3.15 1.35 1.35 ! 0.0000 1776:10 Intra 2.28, 2.65 A assign (resid 123 and name HA) (resid 124 and name HN) 2.65 0.85 0.85 ! 0.8920 1777:10 Ambig 2.08, 2.16 A or (resid 114 and name HA) (resid 124 and name HN) ! 0.1054 1777:10 ----- 2.98, 3.33 A assign (resid 124 and name HA2) (resid 124 and name HN) 2.65 0.85 0.85 ! 0.9272 1778:10 Intra 2.91, 2.93 A assign (resid 84 and name HA) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.0000 1779:10 Long 4.51, 4.71 A assign (resid 51 and name HA) (resid 52 and name HN) 2.65 0.85 0.85 ! 0.9700 1780:10 Seq 2.48, 2.60 A assign (resid 44 and name HB) (resid 40 and name HD21) 3.65 1.85 1.85 ! 0.9953 1782:10 Mid 2.54, 3.98 A assign (resid 79 and name HA) (resid 80 and name HN) 2.65 0.85 0.85 ! 0.0000 1784:10 Seq 2.09, 2.20 A assign (resid 68 and name HA) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.5514 1789:10 Ambig 3.80, 4.03 A or (resid 71 and name HA) (resid 70 and name HN) ! 0.2704 1789:10 ----- 4.28, 4.50 A or (resid 51 and name HA) (resid 50 and name HD21) ! 0.1782 1789:10 ----- 4.58, 5.86 A assign (resid 69 and name HA) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.0000 1790:10 Seq 3.30, 3.40 A assign (resid 57 and name HA) (resid 57 and name HD21) 3.65 1.85 1.85 ! 0.0000 1792:10 Intra 1.93, 4.13 A assign (resid 44 and name HB) (resid 40 and name HD22) 3.65 1.85 1.85 ! 0.9810 1793:10 Mid 1.87, 4.52 A assign (resid 105 and name HA) (resid 105 and name HD21) 3.65 1.85 1.85 ! 0.9943 1794:10 Intra 1.80, 3.89 A assign (resid 78 and name HD1) (resid 76 and name HD21) 4.15 2.35 2.35 ! 0.6807 1797:10 Ambig 3.02, 4.19 A or (resid 78 and name HA) (resid 76 and name HD21) ! 0.2927 1797:10 ----- 3.48, 4.29 A assign (resid 41 and name HA) (resid 41 and name HE21) 4.15 2.35 2.35 ! 0.0000 1804:10 Intra 2.35, 4.24 A assign (resid 105 and name HA) (resid 105 and name HD22) 3.65 1.85 1.85 ! 0.7259 1806:10 Ambig 3.39, 4.52 A or (resid 107 and name HA) (resid 105 and name HD22) ! 0.2437 1806:10 ----- 4.07, 5.87 A assign (resid 57 and name HA) (resid 57 and name HD22) 3.65 1.85 1.85 ! 0.0000 1810:10 Intra 3.53, 4.89 A assign (resid 68 and name HA) (resid 68 and name HN) 2.65 0.85 0.85 ! 0.0000 1811:10 Intra 2.80, 2.82 A assign (resid 69 and name HA) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.0000 1812:10 Seq 4.26, 4.34 A assign (resid 66 and name HA) (resid 68 and name HN) 4.15 2.35 2.35 ! 0.0000 1813:10 Mid 5.79, 5.88 A assign (resid 116 and name HA1) (resid 116 and name HN) 2.65 0.85 0.85 ! 0.0000 1816:10 Intra 2.42, 2.86 A assign (resid 125 and name HA) (resid 113 and name HN) 4.15 2.35 2.35 ! 0.0000 1817:10 Long 4.48, 4.90 A assign (resid 124 and name HA1) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.9379 1818:10 Long 3.81, 4.26 A assign (resid 112 and name HA) (resid 113 and name HN) 2.65 0.85 0.85 ! 0.0000 1819:10 Seq 2.18, 2.28 A assign (resid 124 and name HA1) (resid 124 and name HN) 2.65 0.85 0.85 ! 0.0000 1820:10 Intra 2.32, 2.42 A assign (resid 123 and name HD2) (resid 124 and name HN) 4.15 2.35 2.35 ! 0.0000 1821:10 Seq 5.08, 5.25 A assign (resid 112 and name HD2) (resid 124 and name HN) 4.15 2.35 2.35 ! 0.0000 1822:10 Long 3.04, 3.96 A assign (resid 112 and name HA) (resid 124 and name HN) 4.15 2.35 2.35 ! 0.0000 1823:10 Long 5.18, 5.57 A assign (resid 52 and name HB) (resid 52 and name HN) 2.65 0.85 0.85 ! 0.0000 1824:10 Intra 2.48, 2.63 A assign (resid 40 and name HB2) (resid 40 and name HD21) 3.15 1.35 1.35 ! 0.0000 1825:10 Intra 2.22, 2.55 A assign (resid 80 and name HA*) (resid 80 and name HN) 2.30 0.50 0.50 ! 0.9973 1826:10 Intra 2.29, 2.62 A assign (resid 59 and name HD1) (resid 58 and name HE21) 4.15 2.35 2.35 ! 0.6766 1828:10 Ambig 2.97, 5.80 A or (resid 59 and name HD2) (resid 58 and name HE21) ! 0.3234 1828:10 ----- 3.36, 5.47 A assign (resid 40 and name HB2) (resid 40 and name HD22) 3.15 1.35 1.35 ! 0.0000 1831:10 Intra 3.46, 3.60 A assign (resid 59 and name HD1) (resid 58 and name HE22) 4.15 2.35 2.35 ! 0.6711 1837:10 Ambig 3.62, 6.71 A or (resid 59 and name HD2) (resid 58 and name HE22) ! 0.3289 1837:10 ----- 4.07, 6.26 A assign (resid 66 and name HB2) (resid 68 and name HN) 4.15 2.35 2.35 ! 0.0000 1840:10 Mid 5.15, 5.36 A assign (resid 68 and name HB2) (resid 68 and name HN) 2.65 0.85 0.85 ! 0.0000 1841:10 Intra 3.02, 3.08 A assign (resid 115 and name HG2) (resid 116 and name HN) 3.15 1.35 1.35 ! 0.5879 1843:10 Ambig 2.06, 4.11 A or (resid 115 and name HG1) (resid 116 and name HN) ! 0.4051 1843:10 ----- 2.20, 4.03 A assign (resid 112 and name HD1) (resid 113 and name HN) 4.15 2.35 2.35 ! 0.0000 1844:10 Seq 4.83, 5.45 A assign (resid 112 and name HD1) (resid 124 and name HN) 4.15 2.35 2.35 ! 0.0000 1846:10 Long 2.14, 5.04 A assign (resid 114 and name HB2) (resid 124 and name HN) 3.65 1.85 1.85 ! 0.6678 1847:10 Ambig 3.73, 4.98 A or (resid 114 and name HB1) (resid 124 and name HN) ! 0.3322 1847:10 ----- 4.19, 5.32 A assign (resid 130 and name HB1) (resid 52 and name HN) 4.15 2.35 2.35 ! 0.7678 1848:10 Ambig 5.10, 5.45 A or (resid 53 and name HB1) (resid 52 and name HN) ! 0.2322 1848:10 ----- 6.23, 6.38 A assign (resid 50 and name HB*) (resid 52 and name HN) 4.15 2.35 2.35 ! 0.6342 1849:10 Ambig 6.46, 7.58 A or (resid 85 and name HB1) (resid 52 and name HN) ! 0.3658 1849:10 ----- 7.08, 7.29 A assign (resid 40 and name HB1) (resid 40 and name HD21) 3.15 1.35 1.35 ! 0.9957 1850:10 Intra 2.22, 2.73 A assign (resid 55 and name HB2) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.9201 1851:10 Long 3.75, 4.37 A assign (resid 55 and name HB1) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.0000 1852:10 Long 2.03, 2.73 A assign (resid 5 and name HB*) (resid 5 and name HD21) 3.15 1.35 1.35 ! 0.0000 1854:10 Intra 2.16, 2.75 A assign (resid 50 and name HB*) (resid 50 and name HD21) 3.15 1.35 1.35 ! 0.9966 1855:10 Intra 2.18, 2.89 A assign (resid 70 and name HB2) (resid 70 and name HN) 2.65 0.85 0.85 ! 0.6405 1856:10 Ambig 2.44, 2.92 A or (resid 68 and name HB2) (resid 70 and name HN) ! 0.3544 1856:10 ----- 2.69, 2.99 A assign (resid 68 and name HB1) (resid 70 and name HN) 2.65 0.85 0.85 ! 0.9983 1857:10 Mid 1.95, 2.25 A assign (resid 115 and name HG2) (resid 115 and name HE21) 3.15 1.35 1.35 ! 0.5032 1858:10 Ambig 2.21, 2.83 A or (resid 115 and name HG1) (resid 115 and name HE21) ! 0.4904 1858:10 ----- 2.22, 2.82 A assign (resid 57 and name HB*) (resid 57 and name HD21) 3.15 1.35 1.35 ! 0.0000 1859:10 Intra 2.17, 2.76 A assign (resid 105 and name HB1) (resid 105 and name HD21) 3.15 1.35 1.35 ! 0.9988 1861:10 Intra 2.21, 2.69 A assign (resid 76 and name HB2) (resid 76 and name HD21) 3.15 1.35 1.35 ! 0.0000 1862:10 Intra 2.86, 3.16 A assign (resid 70 and name HB2) (resid 70 and name HD21) 3.15 1.35 1.35 ! 0.9872 1863:10 Intra 2.18, 2.92 A assign (resid 70 and name HB1) (resid 70 and name HD21) 3.65 1.85 1.85 ! 0.0000 1864:10 Intra 2.19, 2.53 A assign (resid 105 and name HB2) (resid 105 and name HD22) 3.15 1.35 1.35 ! 0.0000 1867:10 Intra 3.45, 3.67 A assign (resid 105 and name HB1) (resid 105 and name HD22) 3.15 1.35 1.35 ! 0.9666 1868:10 Intra 3.46, 3.68 A assign (resid 86 and name HB2) (resid 50 and name HD22) 4.15 2.35 2.35 ! 0.8948 1869:10 Ambig 2.59, 4.47 A or (resid 6 and name HB2) (resid 5 and name HD22) ! 0.1032 1869:10 ----- 3.72, 7.06 A assign (resid 50 and name HB*) (resid 50 and name HD22) 3.15 1.35 1.35 ! 0.9832 1871:10 Intra 3.45, 3.78 A assign (resid 86 and name HB1) (resid 50 and name HD22) 4.15 2.35 2.35 ! 0.0000 1872:10 Long 3.42, 5.06 A assign (resid 57 and name HB*) (resid 57 and name HD22) 3.15 1.35 1.35 ! 0.0000 1873:10 Intra 3.43, 3.71 A assign (resid 67 and name HA) (resid 68 and name HN) 2.65 0.85 0.85 ! 0.0000 1875:10 Seq 2.08, 2.12 A assign (resid 68 and name HB1) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.0000 1876:10 Intra 3.92, 3.95 A assign (resid 70 and name HB2) (resid 70 and name HD22) 3.15 1.35 1.35 ! 0.7688 1877:10 Ambig 3.46, 3.79 A or (resid 68 and name HB2) (resid 70 and name HD22) ! 0.2312 1877:10 ----- 4.23, 6.85 A assign (resid 76 and name HB2) (resid 76 and name HD22) 3.15 1.35 1.35 ! 0.9692 1878:10 Intra 3.74, 3.90 A assign (resid 115 and name HB1) (resid 116 and name HN) 3.15 1.35 1.35 ! 0.9678 1880:10 Seq 2.55, 3.22 A assign (resid 115 and name HB2) (resid 116 and name HN) 3.15 1.35 1.35 ! 0.0000 1881:10 Seq 2.53, 3.86 A assign (resid 122 and name HB) (resid 116 and name HN) 4.15 2.35 2.35 ! 0.7163 1882:10 Ambig 4.68, 5.09 A or (resid 121 and name HB1) (resid 116 and name HN) ! 0.2837 1882:10 ----- 5.46, 6.85 A assign (resid 112 and name HB2) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.9887 1884:10 Seq 2.54, 2.92 A assign (resid 126 and name HB*) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.0000 1885:10 Long 5.14, 5.99 A assign (resid 123 and name HB2) (resid 124 and name HN) 3.15 1.35 1.35 ! 0.9729 1886:10 Seq 2.76, 3.45 A assign (resid 123 and name HG*) (resid 124 and name HN) 3.65 1.85 1.85 ! 0.5946 1887:10 Ambig 4.46, 5.29 A or (resid 126 and name HB*) (resid 124 and name HN) ! 0.2258 1887:10 ----- 5.24, 6.71 A or (resid 122 and name HB) (resid 124 and name HN) ! 0.1796 1887:10 ----- 5.45, 6.00 A assign (resid 84 and name HB) (resid 52 and name HN) 4.15 2.35 2.35 ! 0.7247 1888:10 Ambig 5.43, 5.86 A or (resid 49 and name HG2) (resid 52 and name HN) ! 0.2753 1888:10 ----- 6.39, 7.15 A assign (resid 131 and name HB2) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.9928 1889:10 Long 2.77, 4.06 A assign (resid 131 and name HB1) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.8796 1890:10 Ambig 3.16, 3.97 A or (resid 131 and name HD*) (resid 52 and name HN) ! 0.1204 1890:10 ----- 4.40, 6.07 A assign (resid 78 and name HG2) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.5325 1891:10 Ambig 5.77, 6.13 A or (resid 59 and name HG*) (resid 80 and name HN) ! 0.4675 1891:10 ----- 5.90, 7.73 A assign (resid 77 and name HG) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.7574 1893:10 Ambig 5.22, 5.68 A or (resid 54 and name HB) (resid 80 and name HN) ! 0.2426 1893:10 ----- 6.31, 7.00 A assign (resid 58 and name HG*) (resid 58 and name HE21) 3.15 1.35 1.35 ! 0.9957 1894:10 Intra 2.19, 2.93 A assign (resid 58 and name HB2) (resid 58 and name HE21) 3.65 1.85 1.85 ! 0.9980 1895:10 Intra 1.83, 3.22 A assign (resid 58 and name HB1) (resid 58 and name HE21) 3.65 1.85 1.85 ! 0.9152 1896:10 Intra 1.84, 3.65 A assign (resid 69 and name HB2) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.9248 1898:10 Seq 2.75, 3.00 A assign (resid 71 and name HB*) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.0000 1900:10 Seq 4.07, 4.91 A assign (resid 115 and name HB2) (resid 115 and name HE21) 4.15 2.35 2.35 ! 0.9820 1901:10 Intra 1.89, 3.40 A assign (resid 101 and name HB*) (resid 105 and name HD21) 4.15 2.35 2.35 ! 0.0000 1902:10 Mid 3.76, 5.91 A assign (resid 76 and name HB1) (resid 76 and name HD21) 3.15 1.35 1.35 ! 0.8868 1903:10 Ambig 2.16, 2.28 A or (resid 59 and name HB1) (resid 76 and name HD21) ! 0.1132 1903:10 ----- 3.05, 3.88 A assign (resid 78 and name HG1) (resid 76 and name HD21) 4.15 2.35 2.35 ! 0.8596 1904:10 Ambig 4.11, 5.62 A or (resid 78 and name HG2) (resid 76 and name HD21) ! 0.1404 1904:10 ----- 5.56, 6.57 A assign (resid 41 and name HB1) (resid 41 and name HE21) 3.65 1.85 1.85 ! 0.0000 1909:10 Intra 1.82, 3.28 A assign (resid 41 and name HB2) (resid 41 and name HE21) 3.65 1.85 1.85 ! 0.0000 1910:10 Intra 2.58, 3.21 A assign (resid 41 and name HG*) (resid 41 and name HE21) 3.15 1.35 1.35 ! 0.0000 1911:10 Intra 2.18, 2.90 A assign (resid 60 and name HG12) (resid 58 and name HE22) 3.65 1.85 1.85 ! 0.9524 1913:10 Mid 1.87, 4.59 A assign (resid 41 and name HG*) (resid 41 and name HE22) 3.65 1.85 1.85 ! 0.0000 1914:10 Intra 3.46, 3.78 A assign (resid 58 and name HG*) (resid 58 and name HE22) 3.15 1.35 1.35 ! 0.0000 1915:10 Intra 3.46, 3.78 A assign (resid 63 and name HB*) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.8713 1917:10 Ambig 3.85, 4.20 A or (resid 108 and name HB1) (resid 68 and name HN) ! 0.1287 1917:10 ----- 5.30, 5.57 A assign (resid 69 and name HG) (resid 68 and name HN) 4.15 2.35 2.35 ! 0.6660 1918:10 Ambig 5.50, 6.39 A or (resid 69 and name HB2) (resid 68 and name HN) ! 0.3340 1918:10 ----- 6.17, 6.29 A assign (resid 91 and name HG2) (resid 68 and name HN) 2.65 0.85 0.85 ! 0.0000 1919:10 Long 3.53, 3.58 A assign (resid 76 and name HB1) (resid 76 and name HD22) 3.15 1.35 1.35 ! 0.5112 1920:10 Ambig 3.45, 3.51 A or (resid 94 and name HB1) (resid 112 and name HN) ! 0.4888 1920:10 ----- 3.48, 3.82 A assign (resid 78 and name HG1) (resid 76 and name HD22) 3.65 1.85 1.85 ! 0.4148 1921:10 Ambig 4.90, 6.03 A or (resid 110 and name HG2) (resid 112 and name HN) ! 0.4147 1921:10 ----- 4.90, 5.21 A or (resid 78 and name HG2) (resid 76 and name HD22) ! 0.1705 1921:10 ----- 5.68, 6.68 A assign (resid 122 and name HG12) (resid 116 and name HN) 4.15 2.35 2.35 ! 0.5835 1923:10 Ambig 4.48, 6.24 A or (resid 90 and name HG12) (resid 116 and name HN) ! 0.3142 1923:10 ----- 4.96, 7.55 A or (resid 117 and name HB) (resid 116 and name HN) ! 0.1023 1923:10 ----- 5.98, 6.67 A assign (resid 90 and name HG2*) (resid 116 and name HN) 3.65 1.85 1.85 ! 0.9544 1924:10 Long 2.51, 5.39 A assign (resid 117 and name HG2*) (resid 116 and name HN) 4.15 2.35 2.35 ! 0.0000 1925:10 Seq 4.15, 6.34 A assign (resid 113 and name HG2*) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.9995 1926:10 Intra 1.96, 4.17 A assign (resid 112 and name HG1) (resid 124 and name HN) 3.65 1.85 1.85 ! 0.9284 1928:10 Long 3.17, 3.74 A assign (resid 34 and name HG2*) (resid 35 and name HN) 4.15 2.35 2.35 ! 0.0000 1929:10 Seq 2.34, 4.40 A assign (resid 125 and name HG2*) (resid 124 and name HN) 3.65 1.85 1.85 ! 0.8140 1930:10 Ambig 5.36, 6.67 A or (resid 125 and name HG1*) (resid 124 and name HN) ! 0.1860 1930:10 ----- 6.86, 7.66 A assign (resid 95 and name HG2*) (resid 124 and name HN) 4.15 2.35 2.35 ! 0.0000 1931:10 Long 5.28, 6.39 A assign (resid 51 and name HB*) (resid 52 and name HN) 2.30 0.50 0.50 ! 0.0000 1932:10 Seq 2.14, 3.11 A assign (resid 131 and name HG*) (resid 52 and name HN) 4.15 2.35 2.35 ! 0.0000 1933:10 Long 3.85, 5.43 A assign (resid 52 and name HG2*) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.9338 1934:10 Intra 4.30, 4.58 A assign (resid 54 and name HG2*) (resid 52 and name HN) 4.15 2.35 2.35 ! 0.0000 1935:10 Mid 5.85, 6.98 A assign (resid 44 and name HG2*) (resid 40 and name HD21) 4.15 2.35 2.35 ! 0.0000 1936:10 Mid 3.67, 5.86 A assign (resid 81 and name HB*) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.9371 1938:10 Seq 4.41, 5.16 A assign (resid 79 and name HB*) (resid 80 and name HN) 2.65 0.85 0.85 ! 0.9889 1939:10 Seq 2.91, 3.80 A assign (resid 84 and name HG2*) (resid 50 and name HD21) 3.15 1.35 1.35 ! 0.9226 1942:10 Long 2.61, 4.17 A assign (resid 69 and name HD1*) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.0000 1943:10 Seq 5.08, 5.85 A assign (resid 44 and name HG2*) (resid 40 and name HD22) 4.15 2.35 2.35 ! 0.0000 1944:10 Mid 3.16, 6.49 A assign (resid 64 and name HG2*) (resid 105 and name HD21) 3.15 1.35 1.35 ! 0.7117 1947:10 Ambig 2.07, 4.01 A or (resid 64 and name HD1*) (resid 105 and name HD21) ! 0.2785 1947:10 ----- 2.42, 5.31 A assign (resid 61 and name HG21) (resid 76 and name HD21) 4.15 2.35 2.35 ! 0.0000 1948:10 Ambig 5.27, 7.70 A or (resid 61 and name HG11) (resid 76 and name HD21) ! 0.0000 1948:10 ----- 0.00, 0.00 A assign (resid 64 and name HG2*) (resid 105 and name HD22) 3.65 1.85 1.85 ! 0.8154 1953:10 Ambig 1.82, 3.54 A or (resid 64 and name HD1*) (resid 105 and name HD22) ! 0.1793 1953:10 ----- 2.34, 4.89 A assign (resid 84 and name HG2*) (resid 50 and name HD22) 3.65 1.85 1.85 ! 0.9788 1956:10 Long 1.87, 3.42 A assign (resid 91 and name HG1) (resid 68 and name HN) 4.15 2.35 2.35 ! 0.8106 1958:10 Ambig 4.83, 5.03 A or (resid 44 and name HG2*) (resid 68 and name HN) ! 0.1894 1958:10 ----- 6.16, 7.27 A assign (resid 69 and name HD2*) (resid 68 and name HN) 4.15 2.35 2.35 ! 0.0000 1959:10 Seq 4.51, 5.93 A assign (resid 67 and name HG1) (resid 68 and name HN) 4.15 2.35 2.35 ! 0.0000 1960:10 Seq 5.39, 5.61 A assign (resid 110 and name HB2) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.7214 1961:10 Ambig 3.84, 4.23 A or (resid 61 and name HG1*) (resid 76 and name HD22) ! 0.1818 1961:10 ----- 4.83, 7.89 A assign (resid 111 and name HG2*) (resid 113 and name HN) 4.15 2.35 2.35 ! 0.0000 1963:10 Mid 5.86, 6.91 A assign (resid 54 and name HG1*) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.0000 1965:10 Long 4.09, 5.58 A assign (resid 107 and name HG2*) (resid 105 and name HD21) 3.65 1.85 1.85 ! 0.0000 1966:10 Mid 2.37, 4.53 A assign (resid 107 and name HG2*) (resid 105 and name HD22) 4.15 2.35 2.35 ! 0.0000 1967:10 Mid 2.50, 4.79 A assign (resid 67 and name HB*) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.0000 1968:10 Seq 3.63, 3.88 A assign (resid 109 and name HN) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.0000 1972:10 Long 5.01, 5.13 A assign (resid 89 and name HN) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.0000 1973:10 Long 3.86, 4.20 A assign (resid 86 and name HN) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.4123 1974:10 Ambig 4.15, 4.48 A or (resid 97 and name HN) (resid 98 and name HN) ! 0.3152 1974:10 ----- 4.34, 4.41 A or (resid 88 and name HN) (resid 98 and name HN) ! 0.2725 1974:10 ----- 4.45, 4.65 A assign (resid 99 and name HN) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.0000 1975:10 Seq 4.26, 4.33 A assign (resid 97 and name HN) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.9239 1976:10 Long 4.65, 4.84 A assign (resid 122 and name HN) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.0000 1977:10 Long 4.09, 4.91 A assign (resid 116 and name HN) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.7344 1978:10 Ambig 4.07, 4.38 A or (resid 121 and name HN) (resid 117 and name HN) ! 0.2656 1978:10 ----- 4.82, 5.45 A assign (resid 120 and name HN) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.0000 1979:10 Mid 3.78, 4.23 A assign (resid 113 and name HN) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.8640 1980:10 Ambig 4.14, 4.23 A or (resid 97 and name HN) (resid 112 and name HN) ! 0.1023 1980:10 ----- 5.91, 6.16 A assign (resid 111 and name HN) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.9168 1981:10 Seq 3.70, 3.83 A assign (resid 87 and name HN) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.0000 1982:10 Long 3.04, 3.30 A assign (resid 85 and name HD*) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.0000 1983:10 Long 3.90, 5.38 A assign (resid 95 and name HN) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.7312 1986:10 Ambig 3.20, 3.43 A or (resid 60 and name HN) (resid 76 and name HD22) ! 0.2688 1986:10 ----- 3.79, 4.76 A assign (resid 108 and name HE*) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.9157 1990:10 Long 3.92, 5.84 A assign (resid 96 and name HE3) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.5730 1991:10 Ambig 5.20, 5.41 A or (resid 130 and name HE*) (resid 111 and name HN) ! 0.2202 1991:10 ----- 6.10, 7.05 A or (resid 53 and name HD*) (resid 111 and name HN) ! 0.2068 1991:10 ----- 6.16, 6.89 A assign (resid 127 and name HZ3) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.6552 1992:10 Ambig 3.32, 4.04 A or (resid 112 and name HN) (resid 111 and name HN) ! 0.3400 1992:10 ----- 3.70, 3.83 A assign (resid 130 and name HE*) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.8982 1997:10 Ambig 4.74, 5.54 A or (resid 96 and name HD1) (resid 112 and name HN) ! 0.1018 1997:10 ----- 6.81, 7.27 A assign (resid 105 and name HD22) (resid 103 and name HD22) 4.15 2.35 2.35 ! 0.0000 1998:10 Mid 3.46, 5.19 A assign (resid 88 and name HA) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.0000 1999:10 Long 2.87, 3.23 A assign (resid 94 and name HD2) (resid 111 and name HN) 4.15 2.35 2.35 ! 0.0000 2000:10 Long 5.17, 5.94 A assign (resid 94 and name HD2) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.0000 2001:10 Long 3.28, 3.80 A assign (resid 97 and name HA) (resid 98 and name HN) 2.65 0.85 0.85 ! 0.9831 2002:10 Seq 2.07, 2.11 A assign (resid 98 and name HA2) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.9327 2003:10 Intra 2.91, 2.92 A assign (resid 109 and name HA) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.7052 2004:10 Ambig 3.79, 3.91 A or (resid 96 and name HA) (resid 111 and name HN) ! 0.2646 2004:10 ----- 4.46, 4.68 A assign (resid 62 and name HA) (resid 111 and name HN) 4.15 2.35 2.35 ! 0.0000 2006:10 Long 5.49, 5.82 A assign (resid 96 and name HA) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.9199 2007:10 Long 4.83, 5.14 A assign (resid 95 and name HA) (resid 112 and name HN) 4.15 2.35 2.35 ! 0.0000 2008:10 Long 5.53, 5.81 A assign (resid 8 and name HA) (resid 10 and name HN) 4.15 2.35 2.35 ! 0.9225 2010:10 Mid 3.06, 4.69 A assign (resid 9 and name HA) (resid 10 and name HN) 3.15 1.35 1.35 ! 0.9644 2011:10 Seq 2.04, 2.71 A assign (resid 10 and name HA*) (resid 10 and name HN) 3.15 1.35 1.35 ! 0.0000 2012:10 Intra 2.26, 2.66 A assign (resid 19 and name HA) (resid 20 and name HN) 3.15 1.35 1.35 ! 0.0000 2014:10 Seq 2.07, 2.78 A assign (resid 111 and name HA) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.9685 2015:10 Intra 2.20, 2.24 A assign (resid 110 and name HA) (resid 111 and name HN) 2.65 0.85 0.85 ! 0.7026 2016:10 Ambig 3.32, 3.40 A or (resid 110 and name HD1) (resid 111 and name HN) ! 0.2919 2016:10 ----- 3.84, 3.91 A assign (resid 115 and name HA) (resid 117 and name HN) 4.15 2.35 2.35 ! 0.0000 2017:10 Mid 5.55, 6.17 A assign (resid 121 and name HA) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.9837 2018:10 Mid 2.96, 3.95 A assign (resid 116 and name HA2) (resid 117 and name HN) 2.30 0.50 0.50 ! 0.8806 2020:10 Ambig 2.05, 2.65 A or (resid 117 and name HA) (resid 117 and name HN) ! 0.1194 2020:10 ----- 2.86, 2.89 A assign (resid 103 and name HA) (resid 103 and name HD21) 3.65 1.85 1.85 ! 0.0000 2022:10 Intra 2.76, 4.24 A assign (resid 111 and name HA) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.0000 2023:10 Seq 3.51, 3.55 A assign (resid 110 and name HA) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.8416 2024:10 Ambig 4.18, 4.29 A or (resid 113 and name HB) (resid 112 and name HN) ! 0.1098 2024:10 ----- 5.87, 6.41 A assign (resid 103 and name HA) (resid 103 and name HD22) 3.65 1.85 1.85 ! 0.0000 2025:10 Intra 3.88, 4.83 A assign (resid 85 and name HB2) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.0000 2026:10 Long 2.96, 3.36 A assign (resid 20 and name HA*) (resid 20 and name HN) 3.15 1.35 1.35 ! 0.0000 2027:10 Intra 2.25, 2.63 A assign (resid 109 and name HB2) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.7520 2028:10 Ambig 4.44, 4.61 A or (resid 112 and name HA) (resid 111 and name HN) ! 0.2119 2028:10 ----- 5.48, 5.60 A assign (resid 116 and name HA1) (resid 117 and name HN) 2.65 0.85 0.85 ! 0.0000 2029:10 Seq 2.22, 2.46 A assign (resid 127 and name HB2) (resid 112 and name HN) 4.15 2.35 2.35 ! 0.0000 2031:10 Long 5.41, 5.92 A assign (resid 112 and name HA) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.9972 2032:10 Intra 2.82, 2.85 A assign (resid 98 and name HA1) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.9614 2033:10 Intra 2.34, 2.37 A assign (resid 85 and name HB1) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.9256 2034:10 Long 4.16, 4.53 A assign (resid 87 and name HG2) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.8861 2035:10 Ambig 3.44, 3.90 A or (resid 87 and name HG1) (resid 98 and name HN) ! 0.1139 2035:10 ----- 4.84, 5.26 A assign (resid 19 and name HB*) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.0000 2036:10 Seq 1.85, 3.38 A assign (resid 109 and name HB1) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.9648 2037:10 Mid 3.58, 3.75 A assign (resid 120 and name HB2) (resid 117 and name HN) 4.15 2.35 2.35 ! 0.0000 2038:10 Mid 2.32, 4.38 A assign (resid 120 and name HB1) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.0000 2039:10 Mid 2.91, 3.92 A assign (resid 103 and name HB2) (resid 103 and name HD21) 3.15 1.35 1.35 ! 0.0000 2040:10 Intra 2.21, 2.63 A assign (resid 103 and name HB1) (resid 103 and name HD21) 3.15 1.35 1.35 ! 0.0000 2041:10 Intra 2.17, 2.68 A assign (resid 103 and name HB2) (resid 103 and name HD22) 3.15 1.35 1.35 ! 0.0000 2042:10 Intra 3.45, 3.65 A assign (resid 103 and name HB1) (resid 103 and name HD22) 3.15 1.35 1.35 ! 0.0000 2043:10 Intra 3.44, 3.67 A assign (resid 87 and name HB2) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.8245 2044:10 Ambig 4.30, 4.73 A or (resid 108 and name HB1) (resid 98 and name HN) ! 0.1755 2044:10 ----- 5.56, 5.84 A assign (resid 87 and name HB1) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.9905 2045:10 Long 2.62, 3.12 A assign (resid 97 and name HB) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.0000 2046:10 Seq 3.00, 3.11 A assign (resid 9 and name HB*) (resid 10 and name HN) 4.15 2.35 2.35 ! 0.0000 2047:10 Seq 1.86, 3.95 A assign (resid 111 and name HB) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.0000 2048:10 Intra 3.88, 3.95 A assign (resid 118 and name HD1) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.0000 2050:10 Seq 3.73, 4.31 A assign (resid 121 and name HB1) (resid 117 and name HN) 4.15 2.35 2.35 ! 0.7446 2051:10 Ambig 4.71, 5.54 A or (resid 122 and name HB) (resid 117 and name HN) ! 0.2554 2051:10 ----- 5.63, 6.41 A assign (resid 88 and name HG2*) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.9608 2054:10 Long 4.22, 5.42 A assign (resid 110 and name HG1) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.7162 2055:10 Ambig 3.92, 4.20 A or (resid 62 and name HG2*) (resid 111 and name HN) ! 0.2838 2055:10 ----- 4.57, 5.86 A assign (resid 110 and name HB2) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.9058 2056:10 Seq 3.38, 3.61 A assign (resid 117 and name HB) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.9915 2058:10 Intra 2.69, 3.64 A assign (resid 117 and name HG1*) (resid 117 and name HN) 3.15 1.35 1.35 ! 0.8710 2059:10 Ambig 3.29, 4.23 A or (resid 90 and name HG2*) (resid 117 and name HN) ! 0.1290 2059:10 ----- 4.52, 6.44 A assign (resid 117 and name HG2*) (resid 117 and name HN) 2.65 0.85 0.85 ! 0.0000 2060:10 Intra 2.34, 3.30 A assign (resid 112 and name HB1) (resid 112 and name HN) 2.65 0.85 0.85 ! 0.7144 2061:10 Ambig 2.84, 3.32 A or (resid 112 and name HG1) (resid 112 and name HN) ! 0.2500 2061:10 ----- 3.38, 3.79 A assign (resid 95 and name HG2*) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.9854 2062:10 Long 2.86, 3.62 A assign (resid 97 and name HD1*) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.8456 2063:10 Ambig 5.25, 5.93 A or (resid 111 and name HG2*) (resid 98 and name HN) ! 0.1544 2063:10 ----- 6.97, 7.80 A assign (resid 97 and name HG2*) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.0000 2064:10 Seq 4.14, 4.80 A assign (resid 111 and name HG2*) (resid 111 and name HN) 2.65 0.85 0.85 ! 0.9619 2066:10 Intra 3.10, 4.07 A assign (resid 97 and name HG2*) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.0000 2067:10 Long 5.36, 6.45 A assign (resid 111 and name HG1*) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.0000 2068:10 Intra 2.30, 3.25 A assign (resid 111 and name HG2*) (resid 112 and name HN) 2.65 0.85 0.85 ! 0.0000 2069:10 Seq 1.92, 2.96 A assign (resid 97 and name HG2*) (resid 112 and name HN) 4.15 2.35 2.35 ! 0.0000 2070:10 Long 5.40, 6.71 A assign (resid 111 and name HG1*) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.0000 2071:10 Seq 4.51, 4.94 A assign (resid 110 and name HB1) (resid 111 and name HN) 3.15 1.35 1.35 ! 0.0000 2072:10 Seq 4.14, 4.28 A assign (resid 90 and name HD1*) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.9024 2073:10 Long 3.76, 6.30 A assign (resid 110 and name HB1) (resid 112 and name HN) 4.15 2.35 2.35 ! 0.0000 2074:10 Mid 5.19, 5.52 A assign (resid 96 and name HE1) (resid 93 and name HN) 4.15 2.35 2.35 ! 0.0000 2075:10 Mid 4.80, 5.37 A assign (resid 92 and name HN) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.9661 2076:10 Seq 4.30, 4.35 A assign (resid 91 and name HN) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.8793 2078:10 Ambig 4.76, 4.99 A or (resid 122 and name HN) (resid 93 and name HN) ! 0.1207 2078:10 ----- 6.63, 7.59 A assign (resid 94 and name HN) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.0000 2079:10 Seq 2.31, 2.55 A assign (resid 101 and name HN) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.9747 2080:10 Mid 3.64, 3.99 A assign (resid 102 and name HN) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.0000 2081:10 Mid 3.97, 4.22 A assign (resid 74 and name HN) (resid 75 and name HN) 2.65 0.85 0.85 ! 0.9861 2082:10 Seq 1.83, 2.07 A assign (resid 73 and name HN) (resid 75 and name HN) 4.15 2.35 2.35 ! 0.0000 2083:10 Mid 5.43, 5.75 A assign (resid 55 and name HN) (resid 55 and name HD22) 4.15 2.35 2.35 ! 0.0000 2084:10 Intra 5.79, 5.86 A assign (resid 114 and name HN) (resid 93 and name HN) 4.15 2.35 2.35 ! 0.0000 2086:10 Long 3.87, 4.47 A assign (resid 105 and name HN) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.0000 2087:10 Seq 2.20, 2.39 A assign (resid 103 and name HN) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.0000 2088:10 Seq 2.33, 2.44 A assign (resid 62 and name HN) (resid 75 and name HN) 3.65 1.85 1.85 ! 0.0000 2090:10 Long 3.57, 3.88 A assign (resid 60 and name HN) (resid 55 and name HD21) 3.65 1.85 1.85 ! 0.0000 2091:10 Long 2.92, 3.53 A assign (resid 95 and name HA) (resid 93 and name HN) 4.15 2.35 2.35 ! 0.5056 2101:10 Ambig 5.84, 6.14 A or (resid 90 and name HA) (resid 93 and name HN) ! 0.4944 2101:10 ----- 5.86, 6.13 A assign (resid 100 and name HA) (resid 104 and name HN) 4.15 2.35 2.35 ! 0.0000 2102:10 Mid 5.00, 5.25 A assign (resid 63 and name HA) (resid 75 and name HN) 3.65 1.85 1.85 ! 0.6433 2103:10 Ambig 3.95, 4.53 A or (resid 76 and name HA) (resid 75 and name HN) ! 0.3567 2103:10 ----- 4.35, 4.79 A assign (resid 62 and name HA) (resid 75 and name HN) 4.15 2.35 2.35 ! 0.0000 2104:10 Long 5.39, 5.87 A assign (resid 59 and name HA) (resid 55 and name HD21) 3.65 1.85 1.85 ! 0.9872 2105:10 Mid 2.85, 3.45 A assign (resid 59 and name HA) (resid 55 and name HD22) 4.15 2.35 2.35 ! 0.9924 2106:10 Mid 2.02, 2.64 A assign (resid 92 and name HA) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.9967 2108:10 Seq 2.05, 2.11 A assign (resid 93 and name HA1) (resid 93 and name HN) 2.65 0.85 0.85 ! 0.9754 2110:10 Intra 2.90, 2.93 A assign (resid 101 and name HA) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.6164 2112:10 Ambig 4.56, 4.71 A or (resid 105 and name HA) (resid 104 and name HN) ! 0.3836 2112:10 ----- 4.93, 5.05 A assign (resid 104 and name HA2) (resid 104 and name HN) 2.65 0.85 0.85 ! 0.0000 2113:10 Intra 2.30, 2.32 A assign (resid 75 and name HA2) (resid 75 and name HN) 2.30 0.50 0.50 ! 0.3875 2116:10 Ambig 2.87, 2.90 A or (resid 74 and name HA2) (resid 75 and name HN) ! 0.3315 2116:10 ----- 2.94, 3.19 A or (resid 73 and name HA) (resid 75 and name HN) ! 0.2356 2116:10 ----- 3.12, 3.44 A assign (resid 61 and name HA) (resid 75 and name HN) 4.15 2.35 2.35 ! 0.0000 2117:10 Long 4.54, 5.05 A assign (resid 79 and name HA) (resid 55 and name HD21) 3.65 1.85 1.85 ! 0.9907 2118:10 Long 2.07, 2.85 A assign (resid 79 and name HA) (resid 55 and name HD22) 3.65 1.85 1.85 ! 0.9596 2119:10 Long 2.48, 2.92 A assign (resid 93 and name HA2) (resid 93 and name HN) 2.65 0.85 0.85 ! 0.0000 2120:10 Intra 2.44, 2.52 A assign (resid 104 and name HA1) (resid 104 and name HN) 2.65 0.85 0.85 ! 0.0000 2121:10 Intra 2.87, 2.90 A assign (resid 75 and name HA1) (resid 75 and name HN) 2.65 0.85 0.85 ! 0.0000 2122:10 Intra 2.32, 2.47 A assign (resid 74 and name HA1) (resid 75 and name HN) 3.15 1.35 1.35 ! 0.0000 2123:10 Seq 2.89, 3.30 A assign (resid 94 and name HB2) (resid 93 and name HN) 4.15 2.35 2.35 ! 0.0000 2125:10 Seq 5.18, 5.39 A assign (resid 103 and name HB2) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.9316 2126:10 Seq 3.50, 4.23 A assign (resid 103 and name HB1) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.0000 2127:10 Seq 3.22, 3.90 A assign (resid 76 and name HB2) (resid 75 and name HN) 4.15 2.35 2.35 ! 0.0000 2128:10 Seq 4.37, 5.00 A assign (resid 55 and name HB2) (resid 55 and name HD21) 3.65 1.85 1.85 ! 0.0000 2129:10 Intra 2.21, 2.69 A assign (resid 55 and name HB2) (resid 55 and name HD22) 3.65 1.85 1.85 ! 0.0000 2130:10 Intra 3.47, 3.66 A assign (resid 55 and name HB1) (resid 55 and name HD21) 3.65 1.85 1.85 ! 0.0000 2131:10 Intra 2.26, 2.56 A assign (resid 55 and name HB1) (resid 55 and name HD22) 3.65 1.85 1.85 ! 0.0000 2132:10 Intra 3.47, 3.61 A assign (resid 115 and name HG1) (resid 93 and name HN) 4.15 2.35 2.35 ! 0.4552 2133:10 Ambig 3.29, 5.25 A or (resid 115 and name HG2) (resid 93 and name HN) ! 0.4420 2133:10 ----- 3.31, 5.14 A or (resid 114 and name HB1) (resid 93 and name HN) ! 0.0955 2133:10 ----- 4.27, 5.52 A assign (resid 92 and name HB*) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.0000 2134:10 Seq 3.47, 4.15 A assign (resid 101 and name HB*) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.0000 2136:10 Mid 3.41, 4.53 A assign (resid 73 and name HB) (resid 75 and name HN) 4.15 2.35 2.35 ! 0.0000 2137:10 Mid 3.66, 4.73 A assign (resid 64 and name HB) (resid 75 and name HN) 4.15 2.35 2.35 ! 0.0000 2138:10 Long 4.84, 5.77 A assign (resid 60 and name HG12) (resid 55 and name HD21) 4.15 2.35 2.35 ! 0.8930 2139:10 Ambig 3.93, 5.14 A or (resid 78 and name HB1) (resid 55 and name HD21) ! 0.1070 2139:10 ----- 5.59, 6.24 A assign (resid 77 and name HG) (resid 55 and name HD21) 3.65 1.85 1.85 ! 0.9968 2140:10 Long 2.08, 2.67 A assign (resid 77 and name HG) (resid 55 and name HD22) 3.65 1.85 1.85 ! 0.8756 2141:10 Ambig 3.47, 3.98 A or (resid 59 and name HB2) (resid 55 and name HD22) ! 0.1244 2141:10 ----- 4.80, 5.41 A assign (resid 77 and name HB2) (resid 55 and name HD22) 4.15 2.35 2.35 ! 0.0000 2143:10 Long 5.56, 5.89 A assign (resid 77 and name HB2) (resid 55 and name HD21) 4.15 2.35 2.35 ! 0.0000 2144:10 Long 4.37, 5.08 A assign (resid 60 and name HG12) (resid 55 and name HD22) 4.15 2.35 2.35 ! 0.8450 2145:10 Ambig 3.63, 3.97 A or (resid 58 and name HB1) (resid 55 and name HD22) ! 0.1279 2145:10 ----- 4.98, 5.70 A assign (resid 90 and name HG2*) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.6131 2147:10 Ambig 3.98, 4.95 A or (resid 69 and name HD2*) (resid 93 and name HN) ! 0.3869 2147:10 ----- 4.30, 6.31 A assign (resid 64 and name HG12) (resid 75 and name HN) 3.65 1.85 1.85 ! 0.9620 2148:10 Long 3.38, 4.69 A assign (resid 61 and name HG2*) (resid 75 and name HN) 3.15 1.35 1.35 ! 0.4589 2149:10 Ambig 3.27, 4.69 A or (resid 73 and name HG2*) (resid 75 and name HN) ! 0.3709 2149:10 ----- 3.39, 5.45 A or (resid 73 and name HG1*) (resid 75 and name HN) ! 0.1702 2149:10 ----- 3.86, 5.68 A assign (resid 64 and name HD1*) (resid 75 and name HN) 3.15 1.35 1.35 ! 0.9889 2150:10 Long 2.39, 4.17 A assign (resid 77 and name HB1) (resid 55 and name HD21) 3.65 1.85 1.85 ! 0.6830 2151:10 Ambig 2.98, 3.75 A or (resid 81 and name HB*) (resid 55 and name HD21) ! 0.3170 2151:10 ----- 3.39, 4.77 A assign (resid 77 and name HB1) (resid 55 and name HD22) 3.65 1.85 1.85 ! 0.8155 2152:10 Ambig 3.98, 4.27 A or (resid 81 and name HB*) (resid 55 and name HD22) ! 0.1845 2152:10 ----- 5.10, 6.29 A assign (resid 77 and name HD2*) (resid 55 and name HD21) 3.65 1.85 1.85 ! 0.6546 2153:10 Ambig 2.08, 4.04 A or (resid 60 and name HD1*) (resid 55 and name HD21) ! 0.3247 2153:10 ----- 2.33, 4.74 A assign (resid 60 and name HD1*) (resid 55 and name HD22) 3.65 1.85 1.85 ! 0.4102 2154:10 Ambig 3.19, 4.24 A or (resid 79 and name HB*) (resid 55 and name HD22) ! 0.3562 2154:10 ----- 3.27, 4.64 A or (resid 77 and name HD2*) (resid 55 and name HD22) ! 0.2184 2154:10 ----- 3.54, 5.03 A assign (resid 60 and name HG11) (resid 55 and name HD21) 4.15 2.35 2.35 ! 0.9549 2155:10 Long 2.45, 3.43 A assign (resid 60 and name HG11) (resid 55 and name HD22) 4.15 2.35 2.35 ! 0.9981 2156:10 Long 1.98, 2.33 A assign (resid 40 and name HN) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.0000 2158:10 Mid 3.96, 4.31 A assign (resid 44 and name HN) (resid 43 and name HN) 2.65 0.85 0.85 ! 0.9919 2159:10 Seq 2.17, 2.35 A assign (resid 42 and name HN) (resid 43 and name HN) 3.15 1.35 1.35 ! 0.9956 2160:10 Seq 2.11, 2.54 A assign (resid 42 and name HD*) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.6517 2161:10 Ambig 4.77, 5.39 A or (resid 68 and name HE*) (resid 43 and name HN) ! 0.3483 2161:10 ----- 5.30, 6.65 A assign (resid 91 and name HE22) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 2162:10 Long 4.58, 5.09 A assign (resid 40 and name HA) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 2164:10 Mid 4.75, 5.00 A assign (resid 42 and name HA) (resid 43 and name HN) 3.15 1.35 1.35 ! 0.9921 2165:10 Seq 3.09, 3.22 A assign (resid 43 and name HA1) (resid 43 and name HN) 2.65 0.85 0.85 ! 0.0000 2166:10 Intra 2.84, 2.89 A assign (resid 41 and name HA) (resid 43 and name HN) 3.15 1.35 1.35 ! 0.8721 2167:10 Ambig 3.14, 3.42 A or (resid 44 and name HB) (resid 43 and name HN) ! 0.1279 2167:10 ----- 4.32, 4.62 A assign (resid 43 and name HA2) (resid 43 and name HN) 2.65 0.85 0.85 ! 0.0000 2168:10 Intra 2.27, 2.32 A assign (resid 42 and name HB1) (resid 43 and name HN) 3.15 1.35 1.35 ! 0.0000 2169:10 Seq 4.26, 4.34 A assign (resid 41 and name HB1) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 2170:10 Mid 4.79, 5.00 A assign (resid 41 and name HB2) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 2171:10 Mid 4.87, 5.16 A assign (resid 41 and name HG*) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 2172:10 Mid 4.82, 5.74 A assign (resid 39 and name HD2) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 2173:10 Mid 4.16, 5.49 A assign (resid 39 and name HD1) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.9492 2174:10 Mid 3.91, 5.63 A assign (resid 39 and name HG2) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.0000 2175:10 Mid 3.36, 3.78 A assign (resid 39 and name HG1) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.0000 2176:10 Mid 3.79, 4.35 A assign (resid 39 and name HB1) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 2177:10 Mid 5.74, 6.16 A assign (resid 126 and name HN) (resid 128 and name HN) 3.65 1.85 1.85 ! 0.0000 2178:10 Mid 4.69, 5.03 A assign (resid 127 and name HN) (resid 128 and name HN) 3.15 1.35 1.35 ! 0.9983 2179:10 Seq 2.28, 2.48 A assign (resid 129 and name HN) (resid 128 and name HN) 3.15 1.35 1.35 ! 0.0000 2180:10 Seq 4.23, 4.28 A assign (resid 130 and name HE*) (resid 128 and name HN) 3.65 1.85 1.85 ! 0.8042 2181:10 Ambig 3.66, 5.76 A or (resid 127 and name HD1) (resid 128 and name HN) ! 0.1083 2181:10 ----- 5.11, 5.56 A assign (resid 127 and name HA) (resid 128 and name HN) 3.15 1.35 1.35 ! 0.0000 2183:10 Seq 2.85, 3.05 A assign (resid 126 and name HA) (resid 128 and name HN) 3.15 1.35 1.35 ! 0.0000 2184:10 Mid 3.54, 3.71 A assign (resid 128 and name HA*) (resid 128 and name HN) 2.65 0.85 0.85 ! 0.9962 2186:10 Intra 2.67, 2.78 A assign (resid 127 and name HB1) (resid 128 and name HN) 3.65 1.85 1.85 ! 0.0000 2187:10 Seq 4.35, 4.44 A assign (resid 112 and name HB2) (resid 128 and name HN) 4.15 2.35 2.35 ! 0.0000 2189:10 Long 4.82, 5.64 A assign (resid 126 and name HB*) (resid 128 and name HN) 3.15 1.35 1.35 ! 0.0000 2190:10 Mid 2.41, 3.39 A assign (resid 112 and name HB1) (resid 128 and name HN) 4.15 2.35 2.35 ! 0.8984 2191:10 Ambig 3.98, 4.86 A or (resid 112 and name HG1) (resid 128 and name HN) ! 0.1016 2191:10 ----- 5.73, 7.21 A assign (resid 60 and name HD1*) (resid 128 and name HN) 3.65 1.85 1.85 ! 0.0000 2192:10 Long 4.55, 5.67 A assign (resid 129 and name HG2*) (resid 128 and name HN) 3.65 1.85 1.85 ! 0.8626 2193:10 Ambig 5.06, 5.85 A or (resid 129 and name HG1*) (resid 128 and name HN) ! 0.1374 2193:10 ----- 6.87, 7.49 A assign (resid 111 and name HG1*) (resid 128 and name HN) 4.15 2.35 2.35 ! 0.0000 2195:10 Long 5.90, 7.03 A assign (resid 76 and name HD21) (resid 77 and name HN) 4.15 2.35 2.35 ! 0.0000 2196:10 Seq 2.87, 4.46 A assign (resid 45 and name HE3) (resid 45 and name HN) 4.15 2.35 2.35 ! 0.0000 2197:10 Intra 5.35, 5.53 A assign (resid 45 and name HD1) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.9739 2198:10 Intra 2.53, 2.69 A assign (resid 77 and name HA) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.9303 2199:10 Intra 2.88, 2.91 A assign (resid 39 and name HA) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.0000 2200:10 Long 4.26, 4.59 A assign (resid 54 and name HN) (resid 131 and name HN) 3.65 1.85 1.85 ! 0.0000 2202:10 Long 3.94, 4.29 A assign (resid 45 and name HN) (resid 45 and name HE1) 4.15 2.35 2.35 ! 0.8726 2203:10 Ambig 4.79, 5.05 A or (resid 43 and name HN) (resid 45 and name HE1) ! 0.1274 2203:10 ----- 6.60, 7.39 A assign (resid 82 and name HN) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.0000 2204:10 Seq 4.15, 4.22 A assign (resid 127 and name HH2) (resid 127 and name HE1) 3.65 1.85 1.85 ! 0.9063 2205:10 Intra 4.93, 4.95 A assign (resid 96 and name HE3) (resid 96 and name HN) 4.15 2.35 2.35 ! 0.0000 2207:10 Intra 5.43, 5.61 A assign (resid 52 and name HA) (resid 131 and name HN) 3.65 1.85 1.85 ! 0.9436 2209:10 Long 4.56, 4.75 A assign (resid 125 and name HA) (resid 127 and name HE1) 4.15 2.35 2.35 ! 0.0000 2210:10 Mid 5.82, 6.19 A assign (resid 112 and name HD2) (resid 126 and name HN) 4.15 2.35 2.35 ! 0.9396 2211:10 Long 4.42, 5.02 A assign (resid 99 and name HB2) (resid 85 and name HN) 4.15 2.35 2.35 ! 0.0000 2212:10 Long 5.28, 5.70 A assign (resid 53 and name HB2) (resid 85 and name HN) 4.15 2.35 2.35 ! 0.0000 2213:10 Long 4.78, 5.28 A assign (resid 85 and name HB1) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.9522 2215:10 Intra 3.04, 3.15 A assign (resid 94 and name HB1) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.5213 2216:10 Ambig 4.72, 5.10 A or (resid 91 and name HB2) (resid 96 and name HN) ! 0.4787 2216:10 ----- 4.79, 5.56 A assign (resid 106 and name HD1) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.0000 2217:10 Seq 2.73, 4.04 A assign (resid 101 and name HB*) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.0000 2219:10 Long 3.91, 5.25 A assign (resid 125 and name HG1*) (resid 127 and name HE1) 3.15 1.35 1.35 ! 0.9577 2220:10 Mid 2.63, 3.80 A assign (resid 129 and name HG1*) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.6743 2221:10 Ambig 4.42, 5.36 A or (resid 129 and name HG2*) (resid 54 and name HN) ! 0.3257 2221:10 ----- 4.99, 5.81 A assign (resid 93 and name HN) (resid 91 and name HN) 3.65 1.85 1.85 ! 0.0000 2222:10 Mid 4.76, 4.99 A assign (resid 56 and name HN) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 2223:10 Seq 4.47, 4.57 A assign (resid 60 and name HN) (resid 79 and name HN) 4.15 2.35 2.35 ! 0.0000 2224:10 Long 4.97, 5.33 A assign (resid 52 and name HN) (resid 51 and name HN) 3.15 1.35 1.35 ! 0.9461 2225:10 Seq 4.28, 4.34 A assign (resid 55 and name HA) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.9726 2226:10 Intra 2.84, 2.87 A assign (resid 49 and name HA) (resid 49 and name HN) 2.65 0.85 0.85 ! 0.9876 2227:10 Intra 2.78, 2.84 A assign (resid 51 and name HB*) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.6371 2229:10 Ambig 4.55, 5.36 A or (resid 97 and name HB) (resid 85 and name HN) ! 0.3629 2229:10 ----- 4.99, 5.22 A assign (resid 59 and name HB2) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.0000 2230:10 Long 4.68, 5.21 A assign (resid 15 and name HG2*) (resid 17 and name HN) 4.15 2.35 2.35 ! 0.0000 2232:10 Mid 2.38, 5.91 A assign (resid 88 and name HG2*) (resid 51 and name HN) 4.15 2.35 2.35 ! 0.7511 2233:10 Ambig 5.18, 5.94 A or (resid 52 and name HG2*) (resid 51 and name HN) ! 0.2489 2233:10 ----- 6.22, 7.24 A assign (resid 43 and name HN) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.7257 2235:10 Ambig 3.96, 4.31 A or (resid 45 and name HN) (resid 40 and name HN) ! 0.2743 2235:10 ----- 4.65, 4.74 A assign (resid 96 and name HB1) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.6444 2236:10 Ambig 3.68, 3.80 A or (resid 108 and name HB2) (resid 109 and name HN) ! 0.3478 2236:10 ----- 4.08, 4.24 A assign (resid 31 and name HB1) (resid 29 and name HN) 4.15 2.35 2.35 ! 0.5004 2237:10 Ambig 2.99, 5.79 A or (resid 31 and name HG*) (resid 29 and name HN) ! 0.4811 2237:10 ----- 3.01, 6.18 A assign (resid 47 and name HB1) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.7846 2238:10 Ambig 3.51, 4.00 A or (resid 47 and name HB2) (resid 38 and name HN) ! 0.1493 2238:10 ----- 4.63, 5.15 A assign (resid 45 and name HE3) (resid 37 and name HN) 4.15 2.35 2.35 ! 0.0000 2242:10 Long 4.44, 4.95 A assign (resid 46 and name HE*) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.0000 2244:10 Long 4.01, 6.19 A assign (resid 45 and name HZ3) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.6016 2245:10 Ambig 3.39, 3.81 A or (resid 5 and name HD22) (resid 7 and name HN) ! 0.3458 2245:10 ----- 3.72, 6.66 A assign (resid 9 and name HA) (resid 9 and name HN) 3.65 1.85 1.85 ! 0.9857 2246:10 Intra 2.22, 2.81 A assign (resid 126 and name HA) (resid 125 and name HN) 3.65 1.85 1.85 ! 0.3834 2247:10 Ambig 5.12, 5.31 A or (resid 123 and name HA) (resid 125 and name HN) ! 0.3579 2247:10 ----- 5.18, 5.84 A or (resid 114 and name HA) (resid 125 and name HN) ! 0.2587 2247:10 ----- 5.47, 6.26 A assign (resid 19 and name HA) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.0000 2248:10 Intra 2.20, 2.82 A assign (resid 37 and name HB2) (resid 39 and name HN) 4.15 2.35 2.35 ! 0.7805 2251:10 Ambig 5.67, 6.35 A or (resid 43 and name HA2) (resid 39 and name HN) ! 0.2195 2251:10 ----- 7.01, 7.62 A assign (resid 54 and name HB) (resid 130 and name HN) 4.15 2.35 2.35 ! 0.6398 2252:10 Ambig 5.30, 5.69 A or (resid 131 and name HB1) (resid 130 and name HN) ! 0.3602 2252:10 ----- 5.83, 6.60 A assign (resid 18 and name HB*) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.0000 2253:10 Seq 1.86, 3.71 A assign (resid 9 and name HB*) (resid 9 and name HN) 3.15 1.35 1.35 ! 0.9018 2254:10 Intra 2.43, 3.28 A assign (resid 126 and name HB*) (resid 125 and name HN) 4.15 2.35 2.35 ! 0.0000 2255:10 Seq 5.74, 6.66 A assign (resid 49 and name HG1) (resid 50 and name HN) 2.65 0.85 0.85 ! 0.9990 2256:10 Seq 2.26, 3.15 A assign (resid 88 and name HG2*) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.0000 2257:10 Long 5.32, 6.31 A assign (resid 51 and name HB*) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.0000 2258:10 Seq 4.12, 5.49 A assign (resid 90 and name HN) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 2259:10 Long 5.15, 5.35 A assign (resid 94 and name HN) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.8889 2261:10 Ambig 4.27, 4.35 A or (resid 111 and name HN) (resid 95 and name HN) ! 0.1111 2261:10 ----- 6.04, 6.26 A assign (resid 75 and name HN) (resid 64 and name HN) 4.15 2.35 2.35 ! 0.8933 2262:10 Ambig 4.53, 5.32 A or (resid 105 and name HD21) (resid 64 and name HN) ! 0.1067 2262:10 ----- 6.46, 7.53 A assign (resid 68 and name HD*) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.9590 2263:10 Seq 3.52, 4.64 A assign (resid 96 and name HZ2) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.0000 2264:10 Long 4.11, 4.60 A assign (resid 99 and name HE*) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.4585 2267:10 Ambig 4.68, 6.01 A or (resid 108 and name HE*) (resid 108 and name HN) ! 0.3330 2267:10 ----- 4.94, 5.93 A or (resid 46 and name HE*) (resid 47 and name HN) ! 0.2085 2267:10 ----- 5.34, 6.52 A assign (resid 123 and name HD1) (resid 122 and name HN) 3.15 1.35 1.35 ! 0.7777 2268:10 Ambig 4.00, 4.21 A or (resid 123 and name HD2) (resid 122 and name HN) ! 0.2223 2268:10 ----- 4.93, 5.15 A assign (resid 42 and name HB2) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.0000 2270:10 Mid 2.62, 3.12 A assign (resid 43 and name HA2) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.0000 2271:10 Seq 4.32, 4.82 A assign (resid 119 and name HB2) (resid 121 and name HN) 4.15 2.35 2.35 ! 0.0000 2272:10 Mid 4.94, 5.17 A assign (resid 94 and name HB2) (resid 114 and name HN) 3.65 1.85 1.85 ! 0.0000 2273:10 Long 4.78, 5.02 A assign (resid 112 and name HG2) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 2276:10 Long 3.86, 4.30 A assign (resid 112 and name HB1) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.4200 2277:10 Ambig 3.79, 5.63 A or (resid 112 and name HG1) (resid 95 and name HN) ! 0.3666 2277:10 ----- 3.87, 4.39 A or (resid 95 and name HG12) (resid 95 and name HN) ! 0.1984 2277:10 ----- 4.29, 4.42 A assign (resid 95 and name HG11) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.6182 2278:10 Ambig 4.58, 4.61 A or (resid 110 and name HB2) (resid 95 and name HN) ! 0.3818 2278:10 ----- 4.97, 5.32 A assign (resid 46 and name HD*) (resid 89 and name HN) 4.15 2.35 2.35 ! 0.5626 2279:10 Ambig 6.71, 7.55 A or (resid 96 and name HE3) (resid 89 and name HN) ! 0.4374 2279:10 ----- 6.99, 7.20 A assign (resid 99 and name HE*) (resid 100 and name HN) 4.15 2.35 2.35 ! 0.0000 2281:10 Seq 5.32, 6.67 A assign (resid 99 and name HE*) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.7308 2282:10 Ambig 4.31, 5.08 A or (resid 108 and name HE*) (resid 99 and name HN) ! 0.2692 2282:10 ----- 5.09, 5.90 A assign (resid 85 and name HA) (resid 100 and name HN) 4.15 2.35 2.35 ! 0.0000 2283:10 Long 4.34, 4.84 A assign (resid 99 and name HA) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.0000 2284:10 Intra 2.86, 2.89 A assign (resid 96 and name HB1) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.0000 2286:10 Long 4.54, 4.78 A assign (resid 106 and name HG2) (resid 99 and name HN) 4.15 2.35 2.35 ! 0.5693 2287:10 Ambig 5.36, 5.74 A or (resid 106 and name HB1) (resid 99 and name HN) ! 0.3568 2287:10 ----- 5.79, 6.27 A assign (resid 97 and name HG11) (resid 99 and name HN) 3.65 1.85 1.85 ! 0.0000 2288:10 Mid 4.30, 4.65 A assign (resid 60 and name HB) (resid 62 and name HN) 4.15 2.35 2.35 ! 0.8942 2289:10 Ambig 4.89, 5.48 A or (resid 77 and name HG) (resid 62 and name HN) ! 0.1058 2289:10 ----- 6.97, 7.60 A assign (resid 107 and name HG2*) (resid 100 and name HN) 4.15 2.35 2.35 ! 0.0000 2290:10 Long 5.84, 7.20 A assign (resid 5 and name HA) (resid 6 and name HN) 3.65 1.85 1.85 ! 0.0000 2291:10 Seq 2.03, 2.56 A assign (resid 108 and name HB2) (resid 64 and name HN) 3.65 1.85 1.85 ! 0.7317 2292:10 Ambig 5.13, 5.44 A or (resid 67 and name HA) (resid 64 and name HN) ! 0.2683 2292:10 ----- 6.06, 6.54 A assign (resid 53 and name HB1) (resid 129 and name HN) 4.15 2.35 2.35 ! 0.6425 2293:10 Ambig 6.19, 6.52 A or (resid 130 and name HB1) (resid 129 and name HN) ! 0.3575 2293:10 ----- 6.82, 6.97 A assign (resid 64 and name HG11) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.4771 2294:10 Ambig 4.45, 5.25 A or (resid 88 and name HG2*) (resid 47 and name HN) ! 0.3285 2294:10 ----- 4.74, 5.66 A or (resid 38 and name HB1) (resid 47 and name HN) ! 0.0891 2294:10 ----- 5.89, 7.38 A or (resid 44 and name HG2*) (resid 47 and name HN) ! 0.0714 2294:10 ----- 6.11, 7.28 A assign (resid 98 and name HN) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.0000 2295:10 Long 3.86, 4.20 A assign (resid 113 and name HA) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.7606 2296:10 Ambig 4.88, 5.07 A or (resid 110 and name HA) (resid 94 and name HN) ! 0.2394 2296:10 ----- 5.91, 6.28 A assign (resid 91 and name HB1) (resid 91 and name HE21) 3.65 1.85 1.85 ! 0.0000 2297:10 Intra 3.47, 4.04 A assign (resid 91 and name HB1) (resid 91 and name HE22) 3.65 1.85 1.85 ! 0.0000 2298:10 Intra 4.85, 5.11 A assign (resid 64 and name HG11) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.0000 2299:10 Seq 3.97, 4.88 A assign (resid 88 and name HG2*) (resid 86 and name HN) 4.15 2.35 2.35 ! 0.0000 2300:10 Mid 5.58, 6.55 A assign (resid 55 and name HD22) (resid 56 and name HN) 3.65 1.85 1.85 ! 0.0000 2302:10 Seq 3.57, 4.40 A assign (resid 107 and name HA) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.6379 2304:10 Ambig 4.75, 5.33 A or (resid 71 and name HA) (resid 66 and name HN) ! 0.3236 2304:10 ----- 5.32, 5.63 A assign (resid 128 and name HA*) (resid 56 and name HN) 2.65 0.85 0.85 ! 0.0000 2305:10 Long 1.85, 2.97 A assign (resid 67 and name HD1) (resid 66 and name HN) 3.65 1.85 1.85 ! 0.0000 2307:10 Seq 4.23, 4.38 A assign (resid 88 and name HG1*) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.5027 2310:10 Ambig 5.04, 6.71 A or (resid 95 and name HG2*) (resid 97 and name HN) ! 0.4973 2310:10 ----- 5.05, 6.30 A assign (resid 29 and name HB*) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.9778 2311:10 Seq 1.95, 3.71 A assign (resid 66 and name HN) (resid 68 and name HN) 4.15 2.35 2.35 ! 0.0000 2312:10 Mid 5.66, 5.86 A assign (resid 127 and name HH2) (resid 113 and name HN) 4.15 2.35 2.35 ! 0.9873 2313:10 Long 3.42, 4.44 A assign (resid 66 and name HB1) (resid 68 and name HN) 4.15 2.35 2.35 ! 0.0000 2316:10 Mid 5.27, 5.39 A assign (resid 40 and name HB1) (resid 40 and name HD22) 3.65 1.85 1.85 ! 0.4989 2317:10 Ambig 3.48, 3.70 A or (resid 46 and name HB1) (resid 40 and name HD22) ! 0.4338 2317:10 ----- 3.56, 5.79 A assign (resid 105 and name HB2) (resid 105 and name HD21) 3.15 1.35 1.35 ! 0.0000 2318:10 Intra 2.18, 2.69 A assign (resid 70 and name HB1) (resid 70 and name HD22) 3.15 1.35 1.35 ! 0.0000 2319:10 Intra 3.45, 3.62 A assign (resid 112 and name HG1) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.8626 2320:10 Ambig 2.82, 3.57 A or (resid 112 and name HB1) (resid 113 and name HN) ! 0.1374 2320:10 ----- 3.83, 3.96 A assign (resid 123 and name HB1) (resid 124 and name HN) 3.15 1.35 1.35 ! 0.9758 2321:10 Seq 3.35, 3.80 A assign (resid 112 and name HG2) (resid 124 and name HN) 4.15 2.35 2.35 ! 0.0000 2322:10 Long 2.81, 5.05 A assign (resid 58 and name HB2) (resid 58 and name HE22) 3.65 1.85 1.85 ! 0.0000 2323:10 Intra 3.41, 4.17 A assign (resid 113 and name HG2*) (resid 124 and name HN) 3.65 1.85 1.85 ! 0.9914 2324:10 Long 2.83, 5.03 A assign (resid 122 and name HG2*) (resid 124 and name HN) 3.65 1.85 1.85 ! 0.0000 2325:10 Mid 4.59, 6.06 A assign (resid 79 and name HN) (resid 76 and name HD22) 3.65 1.85 1.85 ! 0.4926 2327:10 Ambig 4.64, 5.34 A or (resid 127 and name HN) (resid 112 and name HN) ! 0.4382 2327:10 ----- 4.73, 4.94 A assign (resid 112 and name HD2) (resid 112 and name HN) 4.15 2.35 2.35 ! 0.0000 2328:10 Intra 4.85, 5.40 A assign (resid 94 and name HB1) (resid 111 and name HN) 4.15 2.35 2.35 ! 0.7683 2329:10 Ambig 5.13, 5.35 A or (resid 112 and name HB2) (resid 111 and name HN) ! 0.2317 2329:10 ----- 6.26, 7.23 A assign (resid 118 and name HD2) (resid 117 and name HN) 3.65 1.85 1.85 ! 0.0000 2331:10 Seq 4.62, 4.92 A assign (resid 95 and name HB) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.4190 2332:10 Ambig 5.22, 5.47 A or (resid 60 and name HD1*) (resid 112 and name HN) ! 0.2962 2332:10 ----- 5.53, 6.71 A or (resid 113 and name HG2*) (resid 112 and name HN) ! 0.2848 2332:10 ----- 5.57, 7.41 A assign (resid 80 and name HN) (resid 55 and name HD21) 4.15 2.35 2.35 ! 0.0000 2333:10 Long 3.35, 4.04 A assign (resid 60 and name HN) (resid 55 and name HD22) 3.65 1.85 1.85 ! 0.9456 2334:10 Long 2.62, 2.97 A assign (resid 81 and name HN) (resid 55 and name HD21) 4.15 2.35 2.35 ! 0.8112 2335:10 Ambig 3.16, 3.91 A or (resid 58 and name HE21) (resid 55 and name HD21) ! 0.1806 2335:10 ----- 4.06, 6.75 A assign (resid 58 and name HE21) (resid 55 and name HD22) 4.15 2.35 2.35 ! 0.9510 2336:10 Mid 2.80, 5.31 A assign (resid 103 and name HA) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.0000 2337:10 Seq 3.10, 3.30 A assign (resid 39 and name HE2) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.7131 2338:10 Ambig 3.33, 4.90 A or (resid 39 and name HE1) (resid 43 and name HN) ! 0.2869 2338:10 ----- 3.88, 4.84 A assign (resid 127 and name HB2) (resid 128 and name HN) 3.15 1.35 1.35 ! 0.8176 2339:10 Ambig 3.73, 3.90 A or (resid 56 and name HA1) (resid 128 and name HN) ! 0.1824 2339:10 ----- 4.79, 5.87 A assign (resid 82 and name HG2*) (resid 84 and name HN) 3.15 1.35 1.35 ! 0.6784 2340:10 Ambig 4.35, 5.95 A or (resid 83 and name HG12) (resid 84 and name HN) ! 0.3216 2340:10 ----- 4.93, 5.09 A assign (resid 95 and name HG11) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.9642 2341:10 Seq 2.74, 2.97 A assign (resid 93 and name HN) (resid 93 and name HA1) 3.15 1.35 1.35 ! 0.0000 0:20 Intra 2.90, 2.93 A assign (resid 93 and name HN) (resid 93 and name HA2) 3.15 1.35 1.35 ! 0.0000 1:20 Intra 2.44, 2.52 A assign (resid 109 and name HN) (resid 98 and name HA1) 4.15 2.35 2.35 ! 0.0000 2:20 Long 5.29, 5.57 A assign (resid 98 and name HN) (resid 98 and name HA1) 3.15 1.35 1.35 ! 0.0000 3:20 Intra 2.34, 2.37 A assign (resid 94 and name HN) (resid 93 and name HA1) 3.65 1.85 1.85 ! 0.9891 4:20 Seq 2.75, 2.91 A assign (resid 94 and name HN) (resid 93 and name HA2) 3.65 1.85 1.85 ! 0.0000 5:20 Seq 3.51, 3.54 A assign (resid 55 and name HN) (resid 80 and name HA*) 4.15 2.35 2.35 ! 0.0000 6:20 Long 4.24, 5.39 A assign (resid 79 and name HN) (resid 80 and name HA*) 3.65 1.85 1.85 ! 0.0000 7:20 Seq 5.30, 5.82 A assign (resid 129 and name HN) (resid 128 and name HA*) 2.30 0.50 0.50 ! 0.8703 8:20 Ambig 2.36, 2.54 A or (resid 22 and name HN) (resid 20 and name HA*) ! 0.1297 8:20 ----- 3.24, 4.96 A assign (resid 99 and name HN) (resid 98 and name HA1) 3.15 1.35 1.35 ! 0.0000 9:20 Seq 3.13, 3.20 A assign (resid 11 and name HN) (resid 10 and name HA*) 4.15 2.35 2.35 ! 0.0000 10:20 Seq 2.10, 2.91 A assign (resid 104 and name HN) (resid 104 and name HA2) 3.15 1.35 1.35 ! 0.0000 12:20 Intra 2.30, 2.32 A assign (resid 105 and name HN) (resid 104 and name HA2) 3.65 1.85 1.85 ! 0.0000 13:20 Seq 2.92, 3.14 A assign (resid 80 and name HN) (resid 80 and name HA*) 2.65 0.85 0.85 ! 0.0000 14:20 Intra 2.29, 2.62 A assign (resid 104 and name HN) (resid 104 and name HA1) 3.15 1.35 1.35 ! 0.0000 15:20 Intra 2.87, 2.90 A assign (resid 105 and name HN) (resid 104 and name HA1) 3.65 1.85 1.85 ! 0.0000 16:20 Seq 3.04, 3.32 A assign (resid 43 and name HN) (resid 43 and name HA2) 3.15 1.35 1.35 ! 0.9885 17:20 Intra 2.27, 2.32 A assign (resid 44 and name HN) (resid 43 and name HA2) 3.65 1.85 1.85 ! 0.9826 18:20 Seq 2.95, 3.08 A assign (resid 42 and name HN) (resid 43 and name HA2) 4.15 2.35 2.35 ! 0.9521 19:20 Seq 4.32, 4.82 A assign (resid 128 and name HN) (resid 128 and name HA*) 3.15 1.35 1.35 ! 0.0000 20:20 Intra 2.67, 2.78 A assign (resid 130 and name HE*) (resid 112 and name HD2) 3.65 1.85 1.85 ! 0.0000 22:20 Long 2.12, 4.97 A assign (resid 130 and name HE*) (resid 112 and name HD1) 3.65 1.85 1.85 ! 0.0000 23:20 Long 2.06, 3.94 A assign (resid 108 and name HE*) (resid 98 and name HA1) 3.15 1.35 1.35 ! 0.9937 24:20 Long 2.74, 4.23 A assign (resid 94 and name HA) (resid 93 and name HA1) 3.65 1.85 1.85 ! 0.0000 25:20 Seq 4.52, 4.59 A assign (resid 127 and name HA) (resid 128 and name HA*) 4.15 2.35 2.35 ! 0.0000 27:20 Seq 4.32, 4.61 A assign (resid 108 and name HA) (resid 98 and name HA1) 3.15 1.35 1.35 ! 0.5549 28:20 Ambig 4.00, 4.28 A or (resid 97 and name HA) (resid 98 and name HA1) ! 0.4055 28:20 ----- 4.22, 4.26 A assign (resid 92 and name HA) (resid 93 and name HA1) 3.65 1.85 1.85 ! 0.8792 30:20 Ambig 4.34, 4.37 A or (resid 68 and name HA) (resid 93 and name HA1) ! 0.0621 30:20 ----- 6.75, 7.31 A assign (resid 105 and name HA) (resid 104 and name HA2) 3.65 1.85 1.85 ! 0.0000 32:20 Seq 4.51, 4.64 A assign (resid 92 and name HA) (resid 93 and name HA2) 3.65 1.85 1.85 ! 0.8171 34:20 Ambig 4.26, 4.29 A or (resid 114 and name HA) (resid 93 and name HA2) ! 0.1829 34:20 ----- 5.47, 6.23 A assign (resid 105 and name HA) (resid 104 and name HA1) 3.65 1.85 1.85 ! 0.0000 36:20 Seq 4.37, 4.45 A assign (resid 123 and name HA) (resid 112 and name HD1) 4.15 2.35 2.35 ! 0.8346 41:20 Ambig 2.52, 5.08 A or (resid 126 and name HA) (resid 112 and name HD1) ! 0.1426 41:20 ----- 3.39, 3.97 A assign (resid 112 and name HA) (resid 112 and name HD1) 4.15 2.35 2.35 ! 0.0000 46:20 Intra 4.59, 4.76 A assign (resid 55 and name HB1) (resid 80 and name HA*) 4.15 2.35 2.35 ! 0.0000 48:20 Long 3.34, 4.70 A assign (resid 103 and name HB1) (resid 104 and name HA1) 4.15 2.35 2.35 ! 0.0000 49:20 Seq 4.79, 5.34 A assign (resid 129 and name HB) (resid 128 and name HA*) 3.65 1.85 1.85 ! 0.0000 52:20 Seq 4.69, 4.93 A assign (resid 18 and name HB*) (resid 20 and name HA*) 3.65 1.85 1.85 ! 0.3138 54:20 Ambig 4.22, 7.09 A or (resid 21 and name HB*) (resid 20 and name HA*) ! 0.3009 54:20 ----- 4.25, 5.59 A or (resid 126 and name HB*) (resid 128 and name HA*) ! 0.2185 54:20 ----- 4.48, 5.80 A or (resid 129 and name HB) (resid 128 and name HA*) ! 0.1668 54:20 ----- 4.69, 4.93 A assign (resid 112 and name HB2) (resid 112 and name HD1) 3.15 1.35 1.35 ! 0.9926 55:20 Intra 2.80, 3.00 A assign (resid 87 and name HB2) (resid 98 and name HA1) 3.65 1.85 1.85 ! 0.8928 56:20 Ambig 3.66, 4.16 A or (resid 108 and name HB1) (resid 98 and name HA1) ! 0.1072 56:20 ----- 5.21, 5.50 A assign (resid 123 and name HB1) (resid 112 and name HD1) 3.65 1.85 1.85 ! 0.9274 57:20 Long 3.00, 4.33 A assign (resid 87 and name HB1) (resid 98 and name HA1) 3.65 1.85 1.85 ! 0.9966 58:20 Long 2.18, 2.50 A assign (resid 126 and name HB*) (resid 112 and name HD1) 3.65 1.85 1.85 ! 0.9939 59:20 Long 2.15, 3.66 A assign (resid 34 and name HG2*) (resid 35 and name HA*) 3.65 1.85 1.85 ! 0.6122 60:20 Ambig 3.52, 5.96 A or (resid 11 and name HG2*) (resid 10 and name HA*) ! 0.3878 60:20 ----- 3.80, 6.36 A assign (resid 81 and name HB*) (resid 80 and name HA*) 3.65 1.85 1.85 ! 0.0000 62:20 Seq 4.99, 5.80 A assign (resid 79 and name HB*) (resid 80 and name HA*) 3.15 1.35 1.35 ! 0.0000 63:20 Seq 4.31, 5.17 A assign (resid 129 and name HG2*) (resid 128 and name HA*) 3.15 1.35 1.35 ! 0.9813 64:20 Seq 3.25, 4.83 A assign (resid 39 and name HD2) (resid 43 and name HA2) 3.65 1.85 1.85 ! 0.9832 65:20 Mid 2.13, 3.92 A assign (resid 39 and name HD1) (resid 43 and name HA2) 3.65 1.85 1.85 ! 0.9987 66:20 Mid 2.22, 4.34 A assign (resid 39 and name HG2) (resid 43 and name HA2) 3.15 1.35 1.35 ! 0.6706 67:20 Ambig 2.50, 3.38 A or (resid 95 and name HG2*) (resid 112 and name HD2) ! 0.3000 67:20 ----- 2.86, 4.77 A assign (resid 112 and name HB1) (resid 112 and name HD1) 3.15 1.35 1.35 ! 0.5993 68:20 Ambig 2.25, 2.53 A or (resid 112 and name HG1) (resid 112 and name HD1) ! 0.3994 68:20 ----- 2.41, 2.94 A assign (resid 95 and name HG2*) (resid 112 and name HD1) 3.15 1.35 1.35 ! 0.8416 69:20 Ambig 3.26, 4.71 A or (resid 95 and name HD1*) (resid 112 and name HD1) ! 0.1584 69:20 ----- 4.31, 6.48 A assign (resid 54 and name HG1*) (resid 80 and name HA*) 4.15 2.35 2.35 ! 0.0000 71:20 Long 3.27, 5.26 A assign (resid 39 and name HG1) (resid 43 and name HA2) 3.65 1.85 1.85 ! 0.0000 72:20 Mid 3.04, 3.34 A assign (resid 111 and name HG2*) (resid 112 and name HD1) 4.15 2.35 2.35 ! 0.0000 73:20 Seq 4.02, 5.54 A assign (resid 46 and name HN) (resid 46 and name HB2) 3.65 1.85 1.85 ! 0.0000 74:20 Intra 3.83, 3.89 A assign (resid 46 and name HN) (resid 46 and name HB1) 3.65 1.85 1.85 ! 0.0000 75:20 Intra 3.05, 3.18 A assign (resid 77 and name HN) (resid 77 and name HB2) 3.15 1.35 1.35 ! 0.0000 76:20 Intra 2.66, 2.76 A assign (resid 77 and name HN) (resid 60 and name HB) 3.65 1.85 1.85 ! 0.0000 77:20 Long 3.48, 3.81 A assign (resid 77 and name HN) (resid 77 and name HB1) 3.15 1.35 1.35 ! 0.0000 78:20 Intra 2.38, 2.46 A assign (resid 53 and name HN) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.9985 79:20 Intra 2.51, 2.59 A assign (resid 53 and name HN) (resid 53 and name HB2) 3.15 1.35 1.35 ! 0.9966 80:20 Intra 2.99, 3.16 A assign (resid 56 and name HN) (resid 56 and name HA2) 3.15 1.35 1.35 ! 0.0000 81:20 Intra 2.79, 2.90 A assign (resid 122 and name HN) (resid 116 and name HA2) 3.65 1.85 1.85 ! 0.0000 82:20 Long 2.49, 4.40 A assign (resid 116 and name HN) (resid 116 and name HA2) 3.65 1.85 1.85 ! 0.9816 83:20 Intra 2.43, 2.55 A assign (resid 113 and name HN) (resid 124 and name HA2) 4.15 2.35 2.35 ! 0.5463 84:20 Ambig 5.25, 5.65 A or (resid 126 and name HN) (resid 124 and name HA2) ! 0.4537 84:20 ----- 5.41, 5.81 A assign (resid 125 and name HN) (resid 124 and name HA2) 2.65 0.85 0.85 ! 0.5372 85:20 Ambig 2.84, 3.17 A or (resid 124 and name HN) (resid 124 and name HA2) ! 0.4628 85:20 ----- 2.91, 2.93 A assign (resid 56 and name HN) (resid 56 and name HA1) 3.15 1.35 1.35 ! 0.0000 86:20 Intra 2.24, 2.40 A assign (resid 122 and name HN) (resid 116 and name HA1) 3.65 1.85 1.85 ! 0.0000 87:20 Long 2.87, 3.31 A assign (resid 116 and name HN) (resid 116 and name HA1) 3.15 1.35 1.35 ! 0.9885 88:20 Intra 2.42, 2.86 A assign (resid 76 and name HN) (resid 75 and name HA1) 3.65 1.85 1.85 ! 0.8450 89:20 Ambig 3.10, 3.19 A or (resid 74 and name HN) (resid 75 and name HA1) ! 0.1214 89:20 ----- 4.28, 4.44 A assign (resid 113 and name HN) (resid 124 and name HA1) 3.65 1.85 1.85 ! 0.8957 90:20 Ambig 3.81, 4.26 A or (resid 126 and name HN) (resid 124 and name HA1) ! 0.0875 90:20 ----- 5.61, 5.79 A assign (resid 125 and name HN) (resid 124 and name HA1) 2.65 0.85 0.85 ! 0.6368 91:20 Ambig 2.11, 2.17 A or (resid 124 and name HN) (resid 124 and name HA1) ! 0.3632 91:20 ----- 2.32, 2.42 A assign (resid 74 and name HN) (resid 74 and name HA1) 3.15 1.35 1.35 ! 0.9706 92:20 Intra 2.94, 2.95 A assign (resid 47 and name HN) (resid 46 and name HB2) 3.15 1.35 1.35 ! 0.0000 93:20 Seq 2.45, 2.63 A assign (resid 64 and name HN) (resid 63 and name HD2) 4.15 2.35 2.35 ! 0.9029 94:20 Seq 3.84, 4.60 A assign (resid 64 and name HN) (resid 63 and name HD1) 3.65 1.85 1.85 ! 0.6743 95:20 Ambig 3.76, 3.95 A or (resid 74 and name HN) (resid 63 and name HD1) ! 0.3257 95:20 ----- 4.24, 5.16 A assign (resid 69 and name HN) (resid 68 and name HB2) 3.65 1.85 1.85 ! 0.8123 96:20 Ambig 3.16, 3.47 A or (resid 73 and name HN) (resid 63 and name HD1) ! 0.1796 96:20 ----- 4.07, 4.83 A assign (resid 47 and name HN) (resid 46 and name HB1) 3.65 1.85 1.85 ! 0.9836 97:20 Seq 3.77, 3.89 A assign (resid 86 and name HN) (resid 86 and name HB2) 3.65 1.85 1.85 ! 0.0000 98:20 Intra 2.63, 3.20 A assign (resid 86 and name HN) (resid 86 and name HB1) 3.65 1.85 1.85 ! 0.0000 99:20 Intra 2.23, 2.78 A assign (resid 69 and name HN) (resid 68 and name HB1) 3.65 1.85 1.85 ! 0.0000 100:20 Seq 2.00, 2.28 A assign (resid 61 and name HN) (resid 60 and name HB) 3.65 1.85 1.85 ! 0.0000 101:20 Seq 4.04, 4.17 A assign (resid 57 and name HN) (resid 56 and name HA2) 3.15 1.35 1.35 ! 0.0000 102:20 Seq 2.81, 3.34 A assign (resid 117 and name HN) (resid 116 and name HA2) 3.15 1.35 1.35 ! 0.9940 103:20 Seq 2.05, 2.65 A assign (resid 57 and name HN) (resid 56 and name HA1) 3.15 1.35 1.35 ! 0.0000 104:20 Seq 2.08, 2.54 A assign (resid 117 and name HN) (resid 116 and name HA1) 3.15 1.35 1.35 ! 0.9672 105:20 Seq 2.22, 2.46 A assign (resid 70 and name HN) (resid 63 and name HD2) 4.15 2.35 2.35 ! 0.0000 106:20 Long 4.84, 5.77 A assign (resid 70 and name HN) (resid 68 and name HB2) 3.15 1.35 1.35 ! 0.9898 107:20 Mid 2.69, 2.99 A assign (resid 87 and name HN) (resid 86 and name HB1) 4.15 2.35 2.35 ! 0.9737 108:20 Seq 2.80, 3.54 A assign (resid 70 and name HN) (resid 68 and name HB1) 3.65 1.85 1.85 ! 0.0000 109:20 Mid 1.95, 2.25 A assign (resid 60 and name HN) (resid 77 and name HB2) 3.65 1.85 1.85 ! 0.0000 110:20 Long 4.10, 4.35 A assign (resid 60 and name HN) (resid 60 and name HB) 3.15 1.35 1.35 ! 0.0000 111:20 Intra 2.57, 2.64 A assign (resid 60 and name HN) (resid 77 and name HB1) 3.65 1.85 1.85 ! 0.0000 112:20 Long 2.44, 2.70 A assign (resid 75 and name HN) (resid 75 and name HA1) 3.15 1.35 1.35 ! 0.9891 113:20 Intra 2.32, 2.47 A assign (resid 75 and name HN) (resid 74 and name HA1) 3.65 1.85 1.85 ! 0.0000 114:20 Seq 2.89, 3.30 A assign (resid 46 and name HD*) (resid 46 and name HB2) 3.15 1.35 1.35 ! 0.0000 115:20 Intra 2.28, 3.03 A assign (resid 46 and name HE*) (resid 46 and name HB2) 3.65 1.85 1.85 ! 0.5391 116:20 Ambig 4.58, 5.04 A or (resid 108 and name HE*) (resid 46 and name HB2) ! 0.4609 116:20 ----- 4.71, 6.92 A assign (resid 71 and name HN) (resid 63 and name HD2) 3.65 1.85 1.85 ! 0.0000 117:20 Long 3.01, 3.48 A assign (resid 71 and name HN) (resid 63 and name HD2) 4.15 2.35 2.35 ! 0.0000 118:20 Long 3.01, 3.48 A assign (resid 68 and name HD*) (resid 68 and name HB2) 3.15 1.35 1.35 ! 0.9800 119:20 Intra 2.27, 3.00 A assign (resid 96 and name HZ3) (resid 63 and name HD2) 4.15 2.35 2.35 ! 0.0000 120:20 Long 4.34, 4.71 A assign (resid 96 and name HZ3) (resid 63 and name HD1) 3.65 1.85 1.85 ! 0.0000 121:20 Long 4.20, 4.61 A assign (resid 68 and name HN) (resid 68 and name HB2) 3.15 1.35 1.35 ! 0.0000 122:20 Intra 3.02, 3.08 A assign (resid 96 and name HH2) (resid 63 and name HD2) 3.65 1.85 1.85 ! 0.0000 123:20 Long 3.42, 4.33 A assign (resid 96 and name HH2) (resid 63 and name HD2) 3.65 1.85 1.85 ! 0.0000 124:20 Long 3.42, 4.33 A assign (resid 130 and name HZ) (resid 112 and name HD1) 4.15 2.35 2.35 ! 0.0000 125:20 Long 2.66, 3.37 A assign (resid 46 and name HD*) (resid 46 and name HB1) 3.15 1.35 1.35 ! 0.0000 126:20 Intra 2.44, 3.07 A assign (resid 37 and name HZ3) (resid 46 and name HB1) 4.15 2.35 2.35 ! 0.0000 127:20 Long 4.73, 5.01 A assign (resid 46 and name HE*) (resid 46 and name HB1) 3.65 1.85 1.85 ! 0.5019 128:20 Ambig 4.70, 5.06 A or (resid 108 and name HE*) (resid 46 and name HB1) ! 0.4981 128:20 ----- 4.70, 6.71 A assign (resid 53 and name HD*) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.9909 129:20 Intra 2.31, 3.02 A assign (resid 85 and name HE*) (resid 53 and name HB1) 3.15 1.35 1.35 ! 0.9904 130:20 Long 2.58, 5.42 A assign (resid 85 and name HE*) (resid 53 and name HB2) 3.15 1.35 1.35 ! 0.0000 131:20 Long 1.91, 4.12 A assign (resid 53 and name HD*) (resid 53 and name HB2) 4.15 2.35 2.35 ! 0.9104 132:20 Intra 2.50, 3.06 A assign (resid 68 and name HD*) (resid 68 and name HB1) 3.15 1.35 1.35 ! 0.9776 133:20 Intra 2.50, 3.04 A assign (resid 68 and name HN) (resid 68 and name HB1) 3.65 1.85 1.85 ! 0.0000 134:20 Intra 3.92, 3.95 A assign (resid 55 and name HD21) (resid 60 and name HB) 4.15 2.35 2.35 ! 0.9303 135:20 Long 3.51, 4.32 A assign (resid 46 and name HA) (resid 46 and name HB2) 3.15 1.35 1.35 ! 0.7835 136:20 Ambig 2.36, 2.41 A or (resid 89 and name HA) (resid 46 and name HB2) ! 0.2165 136:20 ----- 2.92, 3.40 A assign (resid 46 and name HA) (resid 46 and name HB1) 3.15 1.35 1.35 ! 0.6572 137:20 Ambig 2.44, 2.49 A or (resid 89 and name HA) (resid 46 and name HB1) ! 0.3428 137:20 ----- 2.72, 3.13 A assign (resid 63 and name HA) (resid 63 and name HD2) 3.15 1.35 1.35 ! 0.9975 139:20 Intra 2.69, 3.32 A assign (resid 63 and name HA) (resid 63 and name HD1) 3.15 1.35 1.35 ! 0.9990 140:20 Intra 2.01, 2.24 A assign (resid 86 and name HA) (resid 86 and name HB2) 3.15 1.35 1.35 ! 0.9353 141:20 Intra 2.33, 2.49 A assign (resid 53 and name HA) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.0000 142:20 Intra 3.03, 3.03 A assign (resid 53 and name HA) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.0000 143:20 Intra 2.41, 2.44 A assign (resid 86 and name HA) (resid 86 and name HB1) 3.15 1.35 1.35 ! 0.9079 144:20 Intra 2.38, 2.79 A assign (resid 76 and name HA) (resid 77 and name HB2) 4.15 2.35 2.35 ! 0.7866 145:20 Ambig 4.28, 4.43 A or (resid 109 and name HA) (resid 77 and name HB2) ! 0.2134 145:20 ----- 5.32, 5.48 A assign (resid 77 and name HA) (resid 77 and name HB2) 3.15 1.35 1.35 ! 0.9938 146:20 Intra 2.45, 2.48 A assign (resid 59 and name HA) (resid 60 and name HB) 4.15 2.35 2.35 ! 0.0000 147:20 Seq 4.56, 4.66 A assign (resid 76 and name HA) (resid 77 and name HB1) 4.15 2.35 2.35 ! 0.8314 148:20 Ambig 4.43, 4.52 A or (resid 109 and name HA) (resid 77 and name HB1) ! 0.1686 148:20 ----- 5.78, 5.99 A assign (resid 77 and name HA) (resid 77 and name HB1) 3.15 1.35 1.35 ! 0.0000 149:20 Intra 3.02, 3.02 A assign (resid 57 and name HA) (resid 56 and name HA2) 3.65 1.85 1.85 ! 0.0000 150:20 Seq 4.29, 4.45 A assign (resid 115 and name HA) (resid 116 and name HA2) 3.65 1.85 1.85 ! 0.0000 152:20 Seq 4.30, 4.56 A assign (resid 121 and name HA) (resid 116 and name HA2) 4.15 2.35 2.35 ! 0.0000 153:20 Long 1.91, 4.49 A assign (resid 57 and name HA) (resid 56 and name HA1) 3.65 1.85 1.85 ! 0.0000 155:20 Seq 4.08, 4.36 A assign (resid 115 and name HA) (resid 116 and name HA1) 3.15 1.35 1.35 ! 0.0000 156:20 Seq 4.27, 4.39 A assign (resid 121 and name HA) (resid 116 and name HA1) 3.15 1.35 1.35 ! 0.9974 157:20 Long 2.51, 3.16 A assign (resid 114 and name HA) (resid 124 and name HA1) 3.15 1.35 1.35 ! 0.6859 162:20 Ambig 3.72, 4.69 A or (resid 123 and name HA) (resid 124 and name HA1) ! 0.2868 162:20 ----- 4.31, 4.35 A assign (resid 31 and name HA) (resid 31 and name HD*) 3.65 1.85 1.85 ! 0.0000 166:20 Intra 1.99, 4.08 A assign (resid 68 and name HA) (resid 68 and name HB2) 3.15 1.35 1.35 ! 0.9867 167:20 Intra 3.05, 3.07 A assign (resid 73 and name HA) (resid 63 and name HD2) 3.15 1.35 1.35 ! 0.7568 168:20 Ambig 3.15, 4.03 A or (resid 69 and name HA) (resid 63 and name HD2) ! 0.2351 168:20 ----- 3.83, 4.98 A assign (resid 73 and name HA) (resid 63 and name HD1) 3.15 1.35 1.35 ! 0.9129 169:20 Long 2.19, 3.01 A assign (resid 54 and name HA) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.5217 170:20 Ambig 4.81, 4.89 A or (resid 83 and name HA) (resid 53 and name HB1) ! 0.3935 170:20 ----- 5.04, 5.47 A assign (resid 68 and name HA) (resid 68 and name HB1) 3.15 1.35 1.35 ! 0.9489 171:20 Intra 2.44, 2.51 A assign (resid 62 and name HB) (resid 77 and name HB2) 3.65 1.85 1.85 ! 0.4085 172:20 Ambig 4.43, 4.84 A or (resid 78 and name HD1) (resid 77 and name HB2) ! 0.3816 172:20 ----- 4.48, 4.92 A or (resid 60 and name HA) (resid 77 and name HB2) ! 0.0757 172:20 ----- 5.87, 6.13 A or (resid 78 and name HA) (resid 77 and name HB2) ! 0.0577 172:20 ----- 6.14, 6.19 A assign (resid 60 and name HA) (resid 60 and name HB) 3.15 1.35 1.35 ! 0.9543 173:20 Intra 3.03, 3.04 A assign (resid 78 and name HD1) (resid 77 and name HB1) 3.65 1.85 1.85 ! 0.4816 174:20 Ambig 4.77, 5.11 A or (resid 78 and name HA) (resid 77 and name HB1) ! 0.2893 174:20 ----- 5.20, 5.26 A or (resid 62 and name HB) (resid 77 and name HB1) ! 0.1909 174:20 ----- 5.57, 5.93 A assign (resid 57 and name HB*) (resid 56 and name HA2) 4.15 2.35 2.35 ! 0.7956 186:20 Ambig 4.51, 5.47 A or (resid 55 and name HB2) (resid 56 and name HA2) ! 0.2044 186:20 ----- 5.65, 5.89 A assign (resid 57 and name HB*) (resid 56 and name HA1) 4.15 2.35 2.35 ! 0.9231 188:20 Seq 4.05, 4.95 A assign (resid 115 and name HG1) (resid 116 and name HA1) 4.15 2.35 2.35 ! 0.5506 190:20 Ambig 3.96, 5.82 A or (resid 115 and name HG2) (resid 116 and name HA1) ! 0.4494 190:20 ----- 4.10, 5.94 A assign (resid 63 and name HG2) (resid 63 and name HD2) 3.15 1.35 1.35 ! 0.9783 193:20 Intra 2.51, 2.90 A assign (resid 87 and name HG2) (resid 46 and name HB1) 3.65 1.85 1.85 ! 0.9825 196:20 Long 3.57, 4.20 A assign (resid 115 and name HB1) (resid 116 and name HA2) 4.15 2.35 2.35 ! 0.0000 203:20 Seq 3.89, 4.42 A assign (resid 123 and name HB2) (resid 124 and name HA2) 3.65 1.85 1.85 ! 0.8393 204:20 Ambig 4.06, 4.37 A or (resid 125 and name HB) (resid 124 and name HA2) ! 0.1607 204:20 ----- 5.35, 5.56 A assign (resid 123 and name HB1) (resid 124 and name HA2) 4.15 2.35 2.35 ! 0.8210 205:20 Ambig 5.26, 5.57 A or (resid 115 and name HB2) (resid 124 and name HA2) ! 0.1790 205:20 ----- 6.79, 7.63 A assign (resid 121 and name HB2) (resid 116 and name HA1) 3.65 1.85 1.85 ! 0.6954 206:20 Ambig 3.21, 5.19 A or (resid 118 and name HD1) (resid 116 and name HA1) ! 0.2003 206:20 ----- 3.95, 5.28 A or (resid 115 and name HB1) (resid 116 and name HA1) ! 0.1043 206:20 ----- 4.40, 4.76 A assign (resid 125 and name HB) (resid 124 and name HA1) 3.65 1.85 1.85 ! 0.5871 207:20 Ambig 4.57, 4.66 A or (resid 123 and name HB2) (resid 124 and name HA1) ! 0.4129 207:20 ----- 4.85, 5.16 A assign (resid 112 and name HB2) (resid 112 and name HD2) 3.65 1.85 1.85 ! 0.9962 208:20 Intra 2.36, 2.61 A assign (resid 73 and name HB) (resid 74 and name HA1) 4.15 2.35 2.35 ! 0.0000 209:20 Seq 4.46, 4.96 A assign (resid 126 and name HB*) (resid 112 and name HD2) 3.65 1.85 1.85 ! 0.9808 211:20 Long 2.15, 4.10 A assign (resid 63 and name HB*) (resid 63 and name HD2) 3.15 1.35 1.35 ! 0.9882 212:20 Intra 2.53, 3.38 A assign (resid 63 and name HB*) (resid 63 and name HD1) 3.15 1.35 1.35 ! 0.8377 213:20 Ambig 2.48, 3.30 A or (resid 32 and name HG*) (resid 31 and name HD*) ! 0.1397 213:20 ----- 3.35, 7.34 A assign (resid 63 and name HG1) (resid 63 and name HD2) 3.65 1.85 1.85 ! 0.9937 214:20 Intra 2.24, 2.40 A assign (resid 31 and name HG*) (resid 31 and name HD*) 2.65 0.85 0.85 ! 0.5532 215:20 Ambig 2.27, 2.66 A or (resid 31 and name HB1) (resid 31 and name HD*) ! 0.4468 215:20 ----- 2.36, 3.04 A assign (resid 71 and name HB*) (resid 63 and name HD2) 3.15 1.35 1.35 ! 0.9983 216:20 Long 2.14, 3.53 A assign (resid 83 and name HB) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.6225 218:20 Ambig 4.28, 4.74 A or (resid 97 and name HG12) (resid 53 and name HB2) ! 0.2550 218:20 ----- 4.96, 5.14 A or (resid 131 and name HB1) (resid 53 and name HB2) ! 0.0798 218:20 ----- 6.02, 7.47 A assign (resid 69 and name HB2) (resid 68 and name HB1) 3.65 1.85 1.85 ! 0.6210 219:20 Ambig 4.18, 4.35 A or (resid 69 and name HG) (resid 68 and name HB1) ! 0.3790 219:20 ----- 4.54, 5.46 A assign (resid 71 and name HB*) (resid 68 and name HB1) 3.15 1.35 1.35 ! 0.7871 220:20 Ambig 3.52, 4.54 A or (resid 91 and name HG2) (resid 68 and name HB1) ! 0.2129 220:20 ----- 4.37, 4.52 A assign (resid 77 and name HG) (resid 77 and name HB2) 2.65 0.85 0.85 ! 0.6372 221:20 Ambig 3.01, 3.02 A or (resid 60 and name HB) (resid 77 and name HB2) ! 0.3525 221:20 ----- 3.32, 3.73 A assign (resid 77 and name HB2) (resid 60 and name HB) 3.15 1.35 1.35 ! 0.8632 222:20 Ambig 3.32, 3.73 A or (resid 110 and name HG2) (resid 60 and name HB) ! 0.1122 222:20 ----- 4.66, 4.85 A assign (resid 60 and name HG12) (resid 60 and name HB) 3.15 1.35 1.35 ! 0.9768 223:20 Intra 3.03, 3.03 A assign (resid 60 and name HB) (resid 77 and name HB1) 2.65 0.85 0.85 ! 0.6727 225:20 Ambig 2.19, 2.39 A or (resid 77 and name HG) (resid 77 and name HB1) ! 0.3267 225:20 ----- 2.47, 2.49 A assign (resid 117 and name HG1*) (resid 116 and name HA2) 3.65 1.85 1.85 ! 0.5527 226:20 Ambig 3.51, 5.06 A or (resid 90 and name HG2*) (resid 116 and name HA2) ! 0.4473 226:20 ----- 3.63, 6.70 A assign (resid 117 and name HG2*) (resid 116 and name HA2) 3.65 1.85 1.85 ! 0.0000 227:20 Seq 3.31, 4.79 A assign (resid 125 and name HG2*) (resid 124 and name HA2) 3.65 1.85 1.85 ! 0.9521 228:20 Seq 3.97, 5.10 A assign (resid 90 and name HG2*) (resid 116 and name HA1) 3.65 1.85 1.85 ! 0.9911 229:20 Long 2.02, 5.74 A assign (resid 117 and name HG2*) (resid 116 and name HA1) 3.65 1.85 1.85 ! 0.0000 230:20 Seq 4.20, 5.35 A assign (resid 61 and name HG2*) (resid 75 and name HA1) 4.15 2.35 2.35 ! 0.7064 231:20 Ambig 4.61, 6.16 A or (resid 73 and name HG2*) (resid 75 and name HA1) ! 0.1767 231:20 ----- 5.81, 7.71 A or (resid 73 and name HG1*) (resid 75 and name HA1) ! 0.1169 231:20 ----- 6.23, 7.88 A assign (resid 112 and name HG1) (resid 124 and name HA1) 4.15 2.35 2.35 ! 0.8823 232:20 Ambig 4.56, 5.57 A or (resid 112 and name HB1) (resid 124 and name HA1) ! 0.1177 232:20 ----- 6.38, 6.80 A assign (resid 125 and name HG2*) (resid 124 and name HA1) 3.65 1.85 1.85 ! 0.9708 233:20 Seq 3.55, 4.84 A assign (resid 64 and name HG12) (resid 74 and name HA1) 4.15 2.35 2.35 ! 0.0000 234:20 Long 4.37, 5.39 A assign (resid 112 and name HG1) (resid 112 and name HD2) 3.15 1.35 1.35 ! 0.6269 235:20 Ambig 2.26, 2.43 A or (resid 112 and name HB1) (resid 112 and name HD2) ! 0.3711 235:20 ----- 2.47, 3.05 A assign (resid 73 and name HG2*) (resid 74 and name HA1) 3.15 1.35 1.35 ! 0.3795 236:20 Ambig 3.78, 5.32 A or (resid 73 and name HG1*) (resid 74 and name HA1) ! 0.3356 236:20 ----- 3.85, 5.76 A or (resid 64 and name HG11) (resid 74 and name HA1) ! 0.2122 236:20 ----- 4.16, 4.85 A assign (resid 64 and name HD1*) (resid 74 and name HA1) 3.15 1.35 1.35 ! 0.9821 237:20 Long 2.93, 3.90 A assign (resid 44 and name HG2*) (resid 46 and name HB2) 3.65 1.85 1.85 ! 0.8604 239:20 Ambig 4.67, 5.80 A or (resid 88 and name HG2*) (resid 46 and name HB2) ! 0.1396 239:20 ----- 6.32, 7.28 A assign (resid 73 and name HG2*) (resid 63 and name HD2) 3.65 1.85 1.85 ! 0.5171 240:20 Ambig 3.13, 5.88 A or (resid 73 and name HG1*) (resid 63 and name HD2) ! 0.4270 240:20 ----- 3.23, 5.24 A assign (resid 73 and name HG1*) (resid 63 and name HD1) 3.65 1.85 1.85 ! 0.5813 241:20 Ambig 2.56, 4.82 A or (resid 61 and name HG2*) (resid 63 and name HD1) ! 0.2119 241:20 ----- 3.03, 5.34 A or (resid 73 and name HG2*) (resid 63 and name HD1) ! 0.2068 241:20 ----- 3.04, 5.42 A assign (resid 44 and name HG2*) (resid 46 and name HB1) 3.65 1.85 1.85 ! 0.0000 243:20 Mid 3.11, 4.33 A assign (resid 77 and name HD2*) (resid 53 and name HB1) 4.15 2.35 2.35 ! 0.4110 244:20 Ambig 4.45, 5.61 A or (resid 83 and name HG12) (resid 53 and name HB1) ! 0.3136 244:20 ----- 4.65, 5.02 A or (resid 97 and name HG11) (resid 53 and name HB1) ! 0.1490 244:20 ----- 5.27, 5.42 A or (resid 82 and name HG2*) (resid 53 and name HB1) ! 0.1263 244:20 ----- 5.41, 7.01 A assign (resid 52 and name HG2*) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.3862 245:20 Ambig 5.20, 6.15 A or (resid 97 and name HG11) (resid 53 and name HB2) ! 0.3040 245:20 ----- 5.41, 5.69 A or (resid 82 and name HG2*) (resid 53 and name HB2) ! 0.1167 245:20 ----- 6.35, 7.98 A or (resid 83 and name HG12) (resid 53 and name HB2) ! 0.1104 245:20 ----- 6.41, 6.76 A assign (resid 77 and name HD2*) (resid 77 and name HB2) 2.65 0.85 0.85 ! 0.9793 247:20 Intra 2.51, 3.14 A assign (resid 77 and name HD1*) (resid 77 and name HB2) 2.65 0.85 0.85 ! 0.9887 248:20 Intra 2.43, 3.06 A assign (resid 77 and name HB1) (resid 60 and name HB) 3.15 1.35 1.35 ! 0.8708 250:20 Ambig 2.19, 2.39 A or (resid 62 and name HG2*) (resid 60 and name HB) ! 0.1255 250:20 ----- 3.03, 4.28 A assign (resid 60 and name HG2*) (resid 60 and name HB) 2.30 0.50 0.50 ! 0.5627 251:20 Ambig 2.43, 2.64 A or (resid 60 and name HD1*) (resid 60 and name HB) ! 0.4373 251:20 ----- 2.54, 3.16 A assign (resid 60 and name HG11) (resid 60 and name HB) 3.15 1.35 1.35 ! 0.9852 252:20 Intra 2.46, 2.48 A assign (resid 77 and name HD2*) (resid 77 and name HB1) 2.65 0.85 0.85 ! 0.9595 253:20 Intra 2.41, 3.01 A assign (resid 60 and name HG11) (resid 77 and name HB1) 3.15 1.35 1.35 ! 0.5649 254:20 Ambig 3.48, 3.95 A or (resid 77 and name HD1*) (resid 77 and name HB1) ! 0.4216 254:20 ----- 3.66, 3.89 A assign (resid 111 and name HG2*) (resid 112 and name HD2) 4.15 2.35 2.35 ! 0.0000 256:20 Seq 4.14, 6.18 A assign (resid 97 and name HD1*) (resid 53 and name HB1) 3.15 1.35 1.35 ! 0.8580 257:20 Ambig 2.56, 3.18 A or (resid 83 and name HG2*) (resid 53 and name HB1) ! 0.1351 257:20 ----- 3.48, 4.94 A assign (resid 97 and name HD1*) (resid 53 and name HB2) 3.15 1.35 1.35 ! 0.9524 258:20 Long 2.57, 3.47 A assign (resid 97 and name HG2*) (resid 53 and name HB1) 4.15 2.35 2.35 ! 0.0000 259:20 Long 3.88, 5.53 A assign (resid 97 and name HG2*) (resid 53 and name HB2) 4.15 2.35 2.35 ! 0.0000 260:20 Long 3.07, 4.59 A assign (resid 45 and name HE1) (resid 39 and name HE2) 4.15 2.35 2.35 ! 0.0000 261:20 Long 2.55, 5.19 A assign (resid 45 and name HE1) (resid 39 and name HE1) 4.15 2.35 2.35 ! 0.0000 262:20 Long 3.20, 4.56 A assign (resid 37 and name HE1) (resid 47 and name HE*) 4.15 2.35 2.35 ! 0.0000 263:20 Long 2.98, 4.72 A assign (resid 131 and name HN) (resid 130 and name HB2) 3.15 1.35 1.35 ! 0.0000 265:20 Seq 3.87, 4.12 A assign (resid 109 and name HN) (resid 108 and name HB2) 3.65 1.85 1.85 ! 0.0000 266:20 Seq 4.08, 4.24 A assign (resid 131 and name HN) (resid 130 and name HB1) 3.65 1.85 1.85 ! 0.0000 267:20 Seq 2.78, 3.15 A assign (resid 109 and name HN) (resid 108 and name HB1) 3.65 1.85 1.85 ! 0.0000 268:20 Seq 3.10, 3.31 A assign (resid 83 and name HN) (resid 83 and name HB) 3.15 1.35 1.35 ! 0.9987 269:20 Intra 2.45, 2.60 A assign (resid 90 and name HN) (resid 90 and name HB) 3.65 1.85 1.85 ! 0.0000 270:20 Intra 2.54, 2.65 A assign (resid 86 and name HN) (resid 85 and name HB2) 3.15 1.35 1.35 ! 0.9389 271:20 Seq 2.26, 2.62 A assign (resid 130 and name HN) (resid 130 and name HB2) 3.15 1.35 1.35 ! 0.0000 272:20 Intra 2.40, 2.46 A assign (resid 108 and name HN) (resid 108 and name HB2) 3.65 1.85 1.85 ! 0.9924 273:20 Intra 2.47, 2.53 A assign (resid 100 and name HN) (resid 106 and name HD1) 4.15 2.35 2.35 ! 0.8349 274:20 Ambig 3.72, 5.10 A or (resid 101 and name HN) (resid 106 and name HD1) ! 0.1651 274:20 ----- 4.88, 5.81 A assign (resid 107 and name HN) (resid 106 and name HD2) 3.15 1.35 1.35 ! 0.9672 275:20 Seq 2.62, 3.62 A assign (resid 107 and name HN) (resid 106 and name HD1) 3.15 1.35 1.35 ! 0.9370 276:20 Ambig 2.73, 4.04 A or (resid 106 and name HN) (resid 106 and name HD1) ! 0.0000 276:20 ----- 0.00, 0.00 A assign (resid 99 and name HN) (resid 106 and name HD2) 3.65 1.85 1.85 ! 0.0000 277:20 Long 3.15, 3.59 A assign (resid 99 and name HN) (resid 106 and name HD1) 3.65 1.85 1.85 ! 0.8776 278:20 Ambig 2.62, 4.53 A or (resid 18 and name HN) (resid 18 and name HE*) ! 0.0831 278:20 ----- 3.87, 5.79 A assign (resid 20 and name HN) (resid 19 and name HB*) 3.65 1.85 1.85 ! 0.4778 279:20 Ambig 1.85, 3.38 A or (resid 9 and name HN) (resid 8 and name HB*) ! 0.4169 279:20 ----- 1.89, 3.84 A or (resid 19 and name HN) (resid 19 and name HB*) ! 0.1053 279:20 ----- 2.38, 3.01 A assign (resid 130 and name HN) (resid 130 and name HB1) 3.15 1.35 1.35 ! 0.0000 280:20 Intra 3.60, 3.64 A assign (resid 85 and name HN) (resid 85 and name HB1) 3.15 1.35 1.35 ! 0.6837 281:20 Ambig 3.04, 3.15 A or (resid 86 and name HN) (resid 85 and name HB1) ! 0.2818 281:20 ----- 3.52, 3.75 A assign (resid 108 and name HN) (resid 108 and name HB1) 3.15 1.35 1.35 ! 0.6189 282:20 Ambig 3.67, 3.70 A or (resid 97 and name HN) (resid 108 and name HB1) ! 0.3713 282:20 ----- 3.99, 4.20 A assign (resid 47 and name HN) (resid 47 and name HE*) 4.15 2.35 2.35 ! 0.0000 283:20 Intra 4.95, 5.61 A assign (resid 69 and name HN) (resid 69 and name HB2) 3.65 1.85 1.85 ! 0.0000 284:20 Intra 2.34, 2.46 A assign (resid 69 and name HN) (resid 69 and name HB1) 3.65 1.85 1.85 ! 0.0000 285:20 Intra 3.58, 3.63 A assign (resid 87 and name HN) (resid 85 and name HB2) 3.65 1.85 1.85 ! 0.9953 286:20 Mid 2.50, 2.84 A assign (resid 85 and name HD*) (resid 85 and name HB2) 3.65 1.85 1.85 ! 0.0000 287:20 Intra 2.44, 3.05 A assign (resid 130 and name HD*) (resid 130 and name HB2) 3.15 1.35 1.35 ! 0.0000 288:20 Intra 2.40, 3.04 A assign (resid 39 and name HN) (resid 38 and name HE*) 4.15 2.35 2.35 ! 0.7947 289:20 Ambig 4.07, 6.11 A or (resid 37 and name HN) (resid 38 and name HE*) ! 0.2053 289:20 ----- 5.09, 7.53 A assign (resid 45 and name HZ2) (resid 39 and name HE2) 4.15 2.35 2.35 ! 0.7690 290:20 Ambig 3.32, 4.99 A or (resid 45 and name HD1) (resid 39 and name HE2) ! 0.2310 290:20 ----- 4.06, 6.45 A assign (resid 8 and name HN) (resid 8 and name HB*) 3.65 1.85 1.85 ! 0.9243 291:20 Intra 2.40, 3.05 A assign (resid 130 and name HD*) (resid 130 and name HB1) 3.15 1.35 1.35 ! 0.0000 292:20 Intra 2.31, 3.02 A assign (resid 87 and name HN) (resid 85 and name HB1) 4.15 2.35 2.35 ! 0.0000 293:20 Mid 4.24, 4.49 A assign (resid 85 and name HD*) (resid 85 and name HB1) 3.65 1.85 1.85 ! 0.0000 294:20 Intra 2.37, 3.05 A assign (resid 45 and name HZ2) (resid 39 and name HE1) 4.15 2.35 2.35 ! 0.9516 296:20 Long 2.52, 4.70 A assign (resid 37 and name HZ2) (resid 47 and name HE*) 3.65 1.85 1.85 ! 0.9760 297:20 Long 2.21, 3.78 A assign (resid 84 and name HN) (resid 83 and name HB) 3.65 1.85 1.85 ! 0.0000 298:20 Seq 3.88, 4.14 A assign (resid 45 and name HD1) (resid 90 and name HB) 3.65 1.85 1.85 ! 0.7848 299:20 Ambig 3.31, 4.06 A or (resid 37 and name HE3) (resid 90 and name HB) ! 0.2034 299:20 ----- 4.15, 4.46 A assign (resid 45 and name HN) (resid 90 and name HB) 3.65 1.85 1.85 ! 0.0000 300:20 Long 3.01, 3.45 A assign (resid 51 and name HN) (resid 85 and name HB2) 4.15 2.35 2.35 ! 0.0000 301:20 Long 4.80, 4.94 A assign (resid 99 and name HD*) (resid 85 and name HB2) 3.65 1.85 1.85 ! 0.8879 302:20 Ambig 3.31, 5.47 A or (resid 85 and name HE*) (resid 85 and name HB2) ! 0.1121 302:20 ----- 4.67, 5.05 A assign (resid 53 and name HD*) (resid 130 and name HB2) 3.65 1.85 1.85 ! 0.5236 303:20 Ambig 4.56, 6.89 A or (resid 130 and name HE*) (resid 130 and name HB2) ! 0.4764 303:20 ----- 4.63, 5.02 A assign (resid 96 and name HE3) (resid 108 and name HB2) 3.15 1.35 1.35 ! 0.0000 304:20 Long 2.83, 3.12 A assign (resid 53 and name HD*) (resid 130 and name HB1) 3.65 1.85 1.85 ! 0.6562 306:20 Ambig 4.08, 6.30 A or (resid 130 and name HE*) (resid 130 and name HB1) ! 0.3211 306:20 ----- 4.59, 5.02 A assign (resid 51 and name HN) (resid 85 and name HB1) 3.65 1.85 1.85 ! 0.6268 307:20 Ambig 5.21, 5.31 A or (resid 53 and name HD*) (resid 85 and name HB1) ! 0.3732 307:20 ----- 5.68, 6.77 A assign (resid 99 and name HD*) (resid 85 and name HB1) 3.65 1.85 1.85 ! 0.9666 308:20 Long 2.64, 4.69 A assign (resid 99 and name HD*) (resid 85 and name HB1) 4.15 2.35 2.35 ! 0.0000 309:20 Long 2.64, 4.69 A assign (resid 96 and name HE3) (resid 108 and name HB1) 3.15 1.35 1.35 ! 0.0000 310:20 Long 2.03, 2.22 A assign (resid 96 and name HZ3) (resid 108 and name HB1) 4.15 2.35 2.35 ! 0.0000 311:20 Long 3.89, 4.18 A assign (resid 37 and name HH2) (resid 47 and name HE*) 3.65 1.85 1.85 ! 0.9392 312:20 Long 2.71, 4.45 A assign (resid 99 and name HD*) (resid 83 and name HB) 4.15 2.35 2.35 ! 0.0000 313:20 Long 4.69, 5.66 A assign (resid 108 and name HD*) (resid 108 and name HB2) 3.15 1.35 1.35 ! 0.0000 314:20 Intra 2.37, 3.04 A assign (resid 108 and name HD*) (resid 108 and name HB1) 2.65 0.85 0.85 ! 0.0000 315:20 Intra 2.35, 3.04 A assign (resid 85 and name HA) (resid 85 and name HB2) 3.15 1.35 1.35 ! 0.8804 316:20 Ambig 2.47, 2.50 A or (resid 97 and name HA) (resid 85 and name HB2) ! 0.0757 316:20 ----- 3.72, 4.01 A assign (resid 130 and name HA) (resid 130 and name HB2) 3.15 1.35 1.35 ! 0.0000 317:20 Intra 3.01, 3.02 A assign (resid 108 and name HA) (resid 108 and name HB2) 3.65 1.85 1.85 ! 0.8755 320:20 Ambig 3.01, 3.02 A or (resid 109 and name HA) (resid 108 and name HB2) ! 0.0586 320:20 ----- 4.72, 4.95 A assign (resid 130 and name HA) (resid 130 and name HB1) 3.15 1.35 1.35 ! 0.0000 321:20 Intra 2.45, 2.49 A assign (resid 85 and name HA) (resid 85 and name HB1) 3.15 1.35 1.35 ! 0.9728 322:20 Intra 2.34, 2.39 A assign (resid 108 and name HA) (resid 108 and name HB1) 3.65 1.85 1.85 ! 0.9217 323:20 Intra 2.46, 2.53 A assign (resid 82 and name HA) (resid 83 and name HB) 3.65 1.85 1.85 ! 0.6776 324:20 Ambig 4.44, 4.58 A or (resid 52 and name HA) (resid 83 and name HB) ! 0.3224 324:20 ----- 5.03, 5.44 A assign (resid 90 and name HA) (resid 90 and name HB) 3.65 1.85 1.85 ! 0.9425 325:20 Intra 3.04, 3.04 A assign (resid 129 and name HA) (resid 130 and name HB2) 3.65 1.85 1.85 ! 0.0000 326:20 Seq 4.46, 4.53 A assign (resid 106 and name HA) (resid 106 and name HD2) 3.15 1.35 1.35 ! 0.9947 327:20 Intra 2.00, 2.74 A assign (resid 38 and name HA) (resid 38 and name HE*) 2.65 0.85 0.85 ! 0.5639 328:20 Ambig 1.93, 4.99 A or (resid 106 and name HA) (resid 106 and name HD1) ! 0.3180 328:20 ----- 2.13, 2.64 A or (resid 19 and name HA) (resid 21 and name HE*) ! 0.1085 328:20 ----- 2.55, 7.05 A assign (resid 131 and name HA) (resid 131 and name HE*) 4.15 2.35 2.35 ! 0.0000 333:20 Intra 4.32, 4.97 A assign (resid 19 and name HA) (resid 19 and name HB*) 2.65 0.85 0.85 ! 0.5075 336:20 Ambig 2.39, 2.75 A or (resid 8 and name HA) (resid 8 and name HB*) ! 0.4844 336:20 ----- 2.41, 2.71 A assign (resid 43 and name HA1) (resid 39 and name HE2) 3.65 1.85 1.85 ! 0.6151 337:20 Ambig 3.24, 5.18 A or (resid 7 and name HA) (resid 8 and name HB*) ! 0.1852 337:20 ----- 3.96, 5.09 A or (resid 18 and name HA) (resid 19 and name HB*) ! 0.1440 337:20 ----- 4.13, 5.12 A assign (resid 129 and name HA) (resid 130 and name HB1) 4.15 2.35 2.35 ! 0.0000 338:20 Seq 5.59, 5.66 A assign (resid 69 and name HA) (resid 69 and name HB2) 3.15 1.35 1.35 ! 0.0000 346:20 Intra 3.01, 3.02 A assign (resid 83 and name HA) (resid 83 and name HB) 3.15 1.35 1.35 ! 0.0000 347:20 Intra 3.01, 3.03 A assign (resid 69 and name HA) (resid 69 and name HB1) 3.15 1.35 1.35 ! 0.0000 348:20 Intra 2.43, 2.51 A assign (resid 68 and name HA) (resid 69 and name HB1) 4.15 2.35 2.35 ! 0.0000 349:20 Seq 5.81, 5.86 A assign (resid 99 and name HB2) (resid 85 and name HB2) 4.15 2.35 2.35 ! 0.0000 350:20 Long 4.35, 4.94 A assign (resid 96 and name HB2) (resid 108 and name HB2) 3.65 1.85 1.85 ! 0.5729 354:20 Ambig 5.03, 5.22 A or (resid 63 and name HD1) (resid 108 and name HB2) ! 0.2091 354:20 ----- 5.95, 6.32 A or (resid 109 and name HB2) (resid 108 and name HB2) ! 0.1637 354:20 ----- 6.20, 6.32 A assign (resid 52 and name HB) (resid 131 and name HE*) 4.15 2.35 2.35 ! 0.0000 360:20 Long 3.54, 5.61 A assign (resid 43 and name HA2) (resid 39 and name HE2) 4.15 2.35 2.35 ! 0.0000 363:20 Mid 2.18, 3.64 A assign (resid 43 and name HA2) (resid 39 and name HE1) 4.15 2.35 2.35 ! 0.0000 368:20 Mid 2.09, 3.30 A assign (resid 96 and name HB2) (resid 108 and name HB1) 4.15 2.35 2.35 ! 0.9436 370:20 Long 3.45, 3.65 A assign (resid 36 and name HB*) (resid 47 and name HE*) 4.15 2.35 2.35 ! 0.9916 372:20 Long 2.35, 5.58 A assign (resid 109 and name HB2) (resid 83 and name HB) 4.15 2.35 2.35 ! 0.0000 373:20 Long 5.83, 6.14 A assign (resid 63 and name HG2) (resid 108 and name HB2) 4.15 2.35 2.35 ! 0.9308 380:20 Long 4.14, 4.69 A assign (resid 53 and name HB1) (resid 83 and name HB) 2.65 0.85 0.85 ! 0.0000 391:20 Long 2.53, 3.04 A assign (resid 45 and name HB1) (resid 90 and name HB) 3.65 1.85 1.85 ! 0.8154 393:20 Ambig 3.69, 4.10 A or (resid 37 and name HB1) (resid 90 and name HB) ! 0.1846 393:20 ----- 4.73, 5.71 A assign (resid 45 and name HB2) (resid 90 and name HB) 3.15 1.35 1.35 ! 0.9957 396:20 Long 2.06, 2.59 A assign (resid 97 and name HB) (resid 85 and name HB2) 3.65 1.85 1.85 ! 0.0000 397:20 Long 2.17, 2.45 A assign (resid 106 and name HG2) (resid 106 and name HD2) 2.65 0.85 0.85 ! 0.9311 399:20 Intra 2.40, 2.83 A assign (resid 4 and name HD1) (resid 4 and name HE1) 2.65 0.85 0.85 ! 0.7233 400:20 Ambig 2.00, 4.32 A or (resid 4 and name HD2) (resid 4 and name HE2) ! 0.2767 400:20 ----- 2.35, 2.66 A assign (resid 131 and name HB2) (resid 131 and name HE*) 3.65 1.85 1.85 ! 0.8398 401:20 Ambig 2.21, 4.29 A or (resid 129 and name HB) (resid 131 and name HE*) ! 0.1602 401:20 ----- 2.91, 6.41 A assign (resid 131 and name HD*) (resid 131 and name HE*) 2.65 0.85 0.85 ! 0.9305 402:20 Intra 2.34, 2.68 A assign (resid 97 and name HB) (resid 85 and name HB1) 3.65 1.85 1.85 ! 0.0000 405:20 Long 2.23, 2.50 A assign (resid 129 and name HG1*) (resid 130 and name HB2) 4.15 2.35 2.35 ! 0.9075 412:20 Seq 4.58, 5.42 A assign (resid 38 and name HG*) (resid 38 and name HE*) 2.65 0.85 0.85 ! 0.9174 413:20 Intra 2.36, 3.16 A assign (resid 106 and name HG1) (resid 106 and name HD2) 3.15 1.35 1.35 ! 0.0000 414:20 Intra 2.30, 2.38 A assign (resid 38 and name HB1) (resid 38 and name HE*) 3.65 1.85 1.85 ! 0.0000 415:20 Intra 2.07, 4.19 A assign (resid 131 and name HG*) (resid 131 and name HE*) 3.15 1.35 1.35 ! 0.0000 416:20 Intra 2.38, 3.07 A assign (resid 52 and name HG2*) (resid 131 and name HE*) 4.15 2.35 2.35 ! 0.6484 417:20 Ambig 3.76, 7.00 A or (resid 82 and name HG2*) (resid 131 and name HE*) ! 0.3516 417:20 ----- 4.17, 7.65 A assign (resid 129 and name HG1*) (resid 131 and name HE*) 4.15 2.35 2.35 ! 0.0000 418:20 Mid 2.25, 5.89 A assign (resid 54 and name HG2*) (resid 131 and name HE*) 3.65 1.85 1.85 ! 0.0000 419:20 Long 2.31, 5.52 A assign (resid 39 and name HD2) (resid 39 and name HE2) 3.15 1.35 1.35 ! 0.0000 420:20 Intra 2.46, 2.96 A assign (resid 39 and name HD1) (resid 39 and name HE2) 3.15 1.35 1.35 ! 0.0000 421:20 Intra 2.39, 2.47 A assign (resid 39 and name HG2) (resid 39 and name HE2) 3.15 1.35 1.35 ! 0.7217 422:20 Ambig 2.42, 2.85 A or (resid 39 and name HB2) (resid 39 and name HE2) ! 0.2783 422:20 ----- 2.83, 3.96 A assign (resid 129 and name HG1*) (resid 130 and name HB1) 4.15 2.35 2.35 ! 0.0000 423:20 Seq 5.45, 6.40 A assign (resid 39 and name HD2) (resid 39 and name HE1) 3.15 1.35 1.35 ! 0.0000 424:20 Intra 2.39, 2.47 A assign (resid 39 and name HD1) (resid 39 and name HE1) 3.15 1.35 1.35 ! 0.0000 425:20 Intra 2.48, 2.96 A assign (resid 39 and name HB2) (resid 39 and name HE1) 3.15 1.35 1.35 ! 0.6582 426:20 Ambig 2.16, 4.01 A or (resid 39 and name HG2) (resid 39 and name HE1) ! 0.3418 426:20 ----- 2.41, 2.95 A assign (resid 47 and name HB2) (resid 47 and name HE*) 3.15 1.35 1.35 ! 0.0000 427:20 Intra 2.06, 4.15 A assign (resid 47 and name HD2) (resid 47 and name HE*) 2.65 0.85 0.85 ! 0.0000 428:20 Intra 2.37, 2.71 A assign (resid 69 and name HD1*) (resid 69 and name HB2) 3.15 1.35 1.35 ! 0.0000 429:20 Intra 2.44, 3.44 A assign (resid 69 and name HD2*) (resid 69 and name HB2) 3.65 1.85 1.85 ! 0.0000 430:20 Intra 2.48, 3.53 A assign (resid 83 and name HG12) (resid 83 and name HB) 3.15 1.35 1.35 ! 0.9078 431:20 Intra 2.42, 2.45 A assign (resid 83 and name HG11) (resid 83 and name HB) 3.15 1.35 1.35 ! 0.9940 432:20 Intra 2.44, 2.45 A assign (resid 69 and name HD1*) (resid 69 and name HB1) 3.15 1.35 1.35 ! 0.0000 433:20 Intra 2.45, 3.11 A assign (resid 69 and name HD2*) (resid 69 and name HB1) 3.65 1.85 1.85 ! 0.0000 434:20 Intra 2.46, 3.49 A assign (resid 90 and name HG2*) (resid 90 and name HB) 3.15 1.35 1.35 ! 0.5130 435:20 Ambig 2.43, 2.65 A or (resid 90 and name HG11) (resid 90 and name HB) ! 0.4827 435:20 ----- 2.45, 2.47 A assign (resid 97 and name HD1*) (resid 85 and name HB2) 3.65 1.85 1.85 ! 0.8539 436:20 Ambig 3.45, 4.66 A or (resid 83 and name HG2*) (resid 85 and name HB2) ! 0.1461 436:20 ----- 4.63, 5.89 A assign (resid 97 and name HG2*) (resid 85 and name HB2) 3.65 1.85 1.85 ! 0.0000 437:20 Long 3.76, 4.63 A assign (resid 39 and name HG1) (resid 39 and name HE2) 3.65 1.85 1.85 ! 0.0000 438:20 Intra 2.39, 3.27 A assign (resid 97 and name HD1*) (resid 85 and name HB1) 3.15 1.35 1.35 ! 0.9037 439:20 Long 2.04, 3.38 A assign (resid 97 and name HG2*) (resid 85 and name HB1) 4.15 2.35 2.35 ! 0.0000 440:20 Long 3.60, 4.59 A assign (resid 39 and name HG1) (resid 39 and name HE1) 3.65 1.85 1.85 ! 0.0000 441:20 Intra 2.45, 3.01 A assign (resid 47 and name HG1) (resid 47 and name HE*) 2.65 0.85 0.85 ! 0.0000 442:20 Intra 2.36, 3.05 A assign (resid 47 and name HD1) (resid 47 and name HE*) 2.65 0.85 0.85 ! 0.0000 443:20 Intra 2.39, 2.63 A assign (resid 83 and name HD1*) (resid 83 and name HB) 3.15 1.35 1.35 ! 0.0000 444:20 Intra 3.76, 3.95 A assign (resid 83 and name HG2*) (resid 83 and name HB) 2.65 0.85 0.85 ! 0.9156 445:20 Intra 2.41, 2.63 A assign (resid 67 and name HB*) (resid 108 and name HB2) 3.65 1.85 1.85 ! 0.0000 446:20 Long 3.35, 4.55 A assign (resid 39 and name HB1) (resid 39 and name HE2) 3.65 1.85 1.85 ! 0.0000 447:20 Intra 1.94, 3.59 A assign (resid 39 and name HB1) (resid 39 and name HE1) 3.65 1.85 1.85 ! 0.0000 448:20 Intra 2.74, 3.92 A assign (resid 67 and name HB*) (resid 108 and name HB1) 3.65 1.85 1.85 ! 0.0000 449:20 Long 2.86, 3.98 A assign (resid 118 and name HG1) (resid 90 and name HB) 3.15 1.35 1.35 ! 0.5911 450:20 Ambig 2.43, 3.24 A or (resid 90 and name HD1*) (resid 90 and name HB) ! 0.4089 450:20 ----- 2.58, 3.19 A assign (resid 77 and name HN) (resid 76 and name HB2) 3.65 1.85 1.85 ! 0.0000 451:20 Seq 3.94, 4.18 A assign (resid 77 and name HN) (resid 76 and name HB1) 3.15 1.35 1.35 ! 0.0000 452:20 Seq 3.98, 4.15 A assign (resid 98 and name HN) (resid 97 and name HB) 3.15 1.35 1.35 ! 0.0000 453:20 Seq 3.00, 3.11 A assign (resid 65 and name HN) (resid 64 and name HB) 3.65 1.85 1.85 ! 0.9377 454:20 Seq 4.05, 4.25 A assign (resid 40 and name HN) (resid 40 and name HB2) 3.65 1.85 1.85 ! 0.0000 455:20 Intra 2.45, 2.91 A assign (resid 100 and name HN) (resid 99 and name HB2) 3.15 1.35 1.35 ! 0.9610 456:20 Seq 2.15, 2.57 A assign (resid 99 and name HN) (resid 99 and name HB2) 4.15 2.35 2.35 ! 0.0000 457:20 Intra 3.82, 3.87 A assign (resid 100 and name HN) (resid 99 and name HB1) 3.15 1.35 1.35 ! 0.0000 458:20 Seq 3.62, 3.81 A assign (resid 100 and name HN) (resid 100 and name HB2) 3.15 1.35 1.35 ! 0.7686 459:20 Ambig 2.38, 2.86 A or (resid 101 and name HN) (resid 100 and name HB2) ! 0.2294 459:20 ----- 2.91, 4.01 A assign (resid 40 and name HN) (resid 40 and name HB1) 3.15 1.35 1.35 ! 0.9749 460:20 Intra 2.33, 2.56 A assign (resid 120 and name HN) (resid 120 and name HB2) 3.15 1.35 1.35 ! 0.0000 461:20 Intra 2.43, 2.64 A assign (resid 55 and name HN) (resid 55 and name HB2) 3.15 1.35 1.35 ! 0.0000 462:20 Intra 2.56, 2.66 A assign (resid 56 and name HN) (resid 55 and name HB2) 3.65 1.85 1.85 ! 0.9679 463:20 Seq 3.96, 4.11 A assign (resid 100 and name HN) (resid 100 and name HB1) 3.15 1.35 1.35 ! 0.6248 464:20 Ambig 2.47, 3.20 A or (resid 76 and name HN) (resid 76 and name HB2) ! 0.2289 464:20 ----- 2.92, 3.16 A or (resid 101 and name HN) (resid 100 and name HB1) ! 0.1327 464:20 ----- 3.20, 3.80 A assign (resid 121 and name HN) (resid 120 and name HB1) 3.15 1.35 1.35 ! 0.0000 465:20 Seq 3.60, 4.06 A assign (resid 120 and name HN) (resid 120 and name HB1) 3.15 1.35 1.35 ! 0.9932 466:20 Intra 2.43, 3.03 A assign (resid 106 and name HN) (resid 105 and name HB2) 3.15 1.35 1.35 ! 0.9697 467:20 Seq 2.62, 3.88 A assign (resid 106 and name HN) (resid 105 and name HB1) 3.15 1.35 1.35 ! 0.0000 468:20 Seq 2.68, 3.75 A assign (resid 55 and name HN) (resid 55 and name HB1) 3.15 1.35 1.35 ! 0.0000 469:20 Intra 2.36, 2.55 A assign (resid 56 and name HN) (resid 55 and name HB1) 4.15 2.35 2.35 ! 0.0000 470:20 Seq 3.68, 4.00 A assign (resid 76 and name HN) (resid 76 and name HB1) 4.15 2.35 2.35 ! 0.9959 471:20 Intra 2.57, 2.70 A assign (resid 122 and name HN) (resid 122 and name HB) 3.15 1.35 1.35 ! 0.0000 472:20 Intra 2.46, 2.53 A assign (resid 97 and name HN) (resid 97 and name HB) 3.65 1.85 1.85 ! 0.6314 473:20 Ambig 3.74, 3.77 A or (resid 86 and name HN) (resid 97 and name HB) ! 0.2190 473:20 ----- 4.47, 4.93 A or (resid 85 and name HN) (resid 97 and name HB) ! 0.1121 473:20 ----- 4.99, 5.22 A assign (resid 64 and name HN) (resid 64 and name HB) 3.15 1.35 1.35 ! 0.9961 474:20 Intra 2.41, 2.54 A assign (resid 40 and name HD21) (resid 40 and name HB2) 3.15 1.35 1.35 ! 0.0000 475:20 Intra 2.22, 2.55 A assign (resid 42 and name HN) (resid 40 and name HB2) 3.65 1.85 1.85 ! 0.6996 476:20 Ambig 3.01, 4.19 A or (resid 40 and name HD22) (resid 40 and name HB2) ! 0.3004 476:20 ----- 3.46, 3.60 A assign (resid 43 and name HN) (resid 42 and name HB2) 3.65 1.85 1.85 ! 0.9768 477:20 Seq 3.41, 3.66 A assign (resid 44 and name HN) (resid 42 and name HB2) 3.65 1.85 1.85 ! 0.8928 478:20 Ambig 2.62, 3.12 A or (resid 91 and name HE21) (resid 42 and name HB2) ! 0.1072 478:20 ----- 3.73, 4.44 A assign (resid 42 and name HN) (resid 42 and name HB2) 3.15 1.35 1.35 ! 0.8339 479:20 Ambig 2.40, 2.52 A or (resid 40 and name HD22) (resid 42 and name HB2) ! 0.1661 479:20 ----- 3.14, 4.36 A assign (resid 100 and name HD22) (resid 100 and name HB2) 3.15 1.35 1.35 ! 0.0000 480:20 Intra 3.46, 3.72 A assign (resid 40 and name HD21) (resid 40 and name HB1) 3.15 1.35 1.35 ! 0.7592 481:20 Ambig 2.22, 2.73 A or (resid 44 and name HN) (resid 40 and name HB1) ! 0.2408 481:20 ----- 2.69, 3.41 A assign (resid 120 and name HD21) (resid 120 and name HB2) 3.15 1.35 1.35 ! 0.5894 482:20 Ambig 2.18, 2.58 A or (resid 117 and name HN) (resid 120 and name HB2) ! 0.4095 482:20 ----- 2.32, 4.38 A assign (resid 42 and name HN) (resid 40 and name HB1) 3.15 1.35 1.35 ! 0.8664 483:20 Ambig 2.55, 3.39 A or (resid 40 and name HD22) (resid 40 and name HB1) ! 0.1336 483:20 ----- 3.48, 3.70 A assign (resid 43 and name HN) (resid 40 and name HB1) 4.15 2.35 2.35 ! 0.8979 484:20 Ambig 3.52, 4.31 A or (resid 45 and name HN) (resid 40 and name HB1) ! 0.1021 484:20 ----- 5.05, 5.76 A assign (resid 57 and name HN) (resid 57 and name HB*) 2.65 0.85 0.85 ! 0.0000 485:20 Intra 2.36, 3.12 A assign (resid 80 and name HN) (resid 55 and name HB2) 4.15 2.35 2.35 ! 0.0000 486:20 Long 3.75, 4.37 A assign (resid 81 and name HN) (resid 55 and name HB2) 3.65 1.85 1.85 ! 0.9198 487:20 Long 3.33, 3.96 A assign (resid 57 and name HD21) (resid 57 and name HB*) 2.65 0.85 0.85 ! 0.9465 488:20 Intra 2.17, 2.76 A assign (resid 50 and name HN) (resid 50 and name HB*) 2.65 0.85 0.85 ! 0.9945 489:20 Intra 2.40, 2.78 A assign (resid 50 and name HD21) (resid 50 and name HB*) 3.15 1.35 1.35 ! 0.0000 490:20 Intra 2.18, 2.89 A assign (resid 100 and name HD22) (resid 100 and name HB1) 3.65 1.85 1.85 ! 0.0000 491:20 Intra 3.47, 3.68 A assign (resid 120 and name HD21) (resid 120 and name HB1) 3.15 1.35 1.35 ! 0.8225 492:20 Ambig 2.19, 2.68 A or (resid 117 and name HN) (resid 120 and name HB1) ! 0.1503 492:20 ----- 2.91, 3.92 A assign (resid 76 and name HD21) (resid 76 and name HB2) 3.15 1.35 1.35 ! 0.0000 493:20 Intra 2.86, 3.16 A assign (resid 105 and name HN) (resid 105 and name HB2) 3.15 1.35 1.35 ! 0.0000 494:20 Intra 2.29, 2.77 A assign (resid 105 and name HN) (resid 105 and name HB1) 3.15 1.35 1.35 ! 0.0000 495:20 Intra 2.42, 2.83 A assign (resid 80 and name HN) (resid 55 and name HB1) 3.65 1.85 1.85 ! 0.0000 496:20 Long 2.03, 2.73 A assign (resid 76 and name HD21) (resid 76 and name HB1) 3.15 1.35 1.35 ! 0.0000 498:20 Intra 2.16, 2.28 A assign (resid 115 and name HN) (resid 122 and name HB) 3.65 1.85 1.85 ! 0.9976 499:20 Long 2.23, 2.60 A assign (resid 85 and name HD*) (resid 97 and name HB) 4.15 2.35 2.35 ! 0.0000 500:20 Long 3.18, 3.60 A assign (resid 95 and name HN) (resid 95 and name HB) 3.65 1.85 1.85 ! 0.0000 501:20 Intra 2.85, 2.95 A assign (resid 46 and name HD*) (resid 40 and name HB2) 3.65 1.85 1.85 ! 0.9275 502:20 Long 2.01, 4.32 A assign (resid 46 and name HE*) (resid 40 and name HB2) 3.65 1.85 1.85 ! 0.0000 503:20 Long 2.06, 4.35 A assign (resid 99 and name HD*) (resid 99 and name HB2) 3.15 1.35 1.35 ! 0.0000 504:20 Intra 2.33, 3.05 A assign (resid 42 and name HD*) (resid 42 and name HB2) 2.65 0.85 0.85 ! 0.8995 505:20 Ambig 2.28, 3.03 A or (resid 68 and name HE*) (resid 42 and name HB2) ! 0.0934 505:20 ----- 3.32, 4.95 A assign (resid 42 and name HE*) (resid 42 and name HB2) 3.65 1.85 1.85 ! 0.0000 506:20 Intra 4.58, 5.04 A assign (resid 99 and name HD*) (resid 99 and name HB1) 2.65 0.85 0.85 ! 0.9977 507:20 Intra 2.41, 3.06 A assign (resid 100 and name HD21) (resid 100 and name HB2) 3.15 1.35 1.35 ! 0.0000 509:20 Intra 2.21, 2.78 A assign (resid 46 and name HD*) (resid 40 and name HB1) 3.15 1.35 1.35 ! 0.5384 510:20 Ambig 2.67, 4.99 A or (resid 42 and name HD*) (resid 40 and name HB1) ! 0.3426 510:20 ----- 2.88, 5.58 A or (resid 120 and name HD22) (resid 120 and name HB2) ! 0.1190 510:20 ----- 3.44, 3.63 A assign (resid 46 and name HE*) (resid 40 and name HB1) 3.65 1.85 1.85 ! 0.9989 511:20 Long 1.95, 5.32 A assign (resid 6 and name HD*) (resid 6 and name HB2) 3.65 1.85 1.85 ! 0.0000 512:20 Intra 2.34, 3.04 A assign (resid 6 and name HD*) (resid 6 and name HB1) 3.65 1.85 1.85 ! 0.0000 513:20 Intra 2.32, 3.05 A assign (resid 57 and name HD22) (resid 57 and name HB*) 3.15 1.35 1.35 ! 0.0000 514:20 Intra 3.43, 3.71 A assign (resid 55 and name HD22) (resid 55 and name HB2) 3.15 1.35 1.35 ! 0.0000 515:20 Intra 3.47, 3.66 A assign (resid 68 and name HE*) (resid 42 and name HB1) 2.65 0.85 0.85 ! 0.5788 516:20 Ambig 2.35, 3.52 A or (resid 42 and name HD*) (resid 42 and name HB1) ! 0.4027 516:20 ----- 2.50, 3.09 A assign (resid 51 and name HN) (resid 50 and name HB*) 3.15 1.35 1.35 ! 0.0000 517:20 Seq 3.01, 4.24 A assign (resid 50 and name HD22) (resid 50 and name HB*) 3.65 1.85 1.85 ! 0.0000 518:20 Intra 3.45, 3.78 A assign (resid 120 and name HD22) (resid 120 and name HB1) 3.65 1.85 1.85 ! 0.0000 519:20 Intra 3.47, 3.68 A assign (resid 76 and name HD22) (resid 76 and name HB2) 3.15 1.35 1.35 ! 0.0000 520:20 Intra 3.74, 3.90 A assign (resid 105 and name HD21) (resid 105 and name HB2) 3.15 1.35 1.35 ! 0.0000 521:20 Intra 2.18, 2.69 A assign (resid 105 and name HD21) (resid 105 and name HB1) 3.65 1.85 1.85 ! 0.0000 522:20 Intra 2.21, 2.69 A assign (resid 105 and name HD22) (resid 105 and name HB1) 3.65 1.85 1.85 ! 0.0000 523:20 Intra 3.46, 3.68 A assign (resid 55 and name HD22) (resid 55 and name HB1) 3.15 1.35 1.35 ! 0.0000 524:20 Intra 3.47, 3.61 A assign (resid 76 and name HD22) (resid 76 and name HB1) 3.65 1.85 1.85 ! 0.0000 525:20 Intra 3.45, 3.51 A assign (resid 99 and name HD*) (resid 97 and name HB) 3.65 1.85 1.85 ! 0.0000 526:20 Mid 3.25, 5.54 A assign (resid 130 and name HE*) (resid 97 and name HB) 4.15 2.35 2.35 ! 0.6241 527:20 Ambig 5.01, 7.54 A or (resid 53 and name HD*) (resid 97 and name HB) ! 0.1644 527:20 ----- 6.26, 6.76 A or (resid 51 and name HN) (resid 97 and name HB) ! 0.1500 527:20 ----- 6.35, 6.55 A assign (resid 40 and name HA) (resid 40 and name HB2) 3.15 1.35 1.35 ! 0.0000 529:20 Intra 2.43, 2.51 A assign (resid 85 and name HA) (resid 99 and name HB2) 3.15 1.35 1.35 ! 0.9898 530:20 Long 2.73, 3.29 A assign (resid 99 and name HA) (resid 99 and name HB2) 3.15 1.35 1.35 ! 0.0000 531:20 Intra 2.42, 2.48 A assign (resid 85 and name HA) (resid 99 and name HB1) 3.15 1.35 1.35 ! 0.9960 532:20 Long 1.95, 2.35 A assign (resid 99 and name HA) (resid 99 and name HB1) 3.15 1.35 1.35 ! 0.0000 533:20 Intra 2.38, 2.43 A assign (resid 100 and name HA) (resid 100 and name HB2) 3.15 1.35 1.35 ! 0.0000 534:20 Intra 2.42, 2.75 A assign (resid 40 and name HA) (resid 40 and name HB1) 3.15 1.35 1.35 ! 0.0000 535:20 Intra 2.42, 2.92 A assign (resid 120 and name HA) (resid 120 and name HB2) 3.15 1.35 1.35 ! 0.0000 536:20 Intra 2.41, 2.72 A assign (resid 58 and name HA) (resid 57 and name HB*) 3.65 1.85 1.85 ! 0.0000 537:20 Seq 4.33, 5.25 A assign (resid 76 and name HA) (resid 76 and name HB2) 2.65 0.85 0.85 ! 0.4313 538:20 Ambig 2.38, 2.46 A or (resid 50 and name HA) (resid 50 and name HB*) ! 0.3759 538:20 ----- 2.44, 2.76 A or (resid 86 and name HA) (resid 50 and name HB*) ! 0.1914 538:20 ----- 2.73, 4.00 A assign (resid 120 and name HA) (resid 120 and name HB1) 3.15 1.35 1.35 ! 0.9710 539:20 Intra 2.42, 2.78 A assign (resid 76 and name HA) (resid 76 and name HB1) 3.15 1.35 1.35 ! 0.0000 540:20 Intra 3.01, 3.03 A assign (resid 77 and name HA) (resid 76 and name HB1) 4.15 2.35 2.35 ! 0.0000 541:20 Seq 4.70, 4.95 A assign (resid 97 and name HA) (resid 97 and name HB) 3.15 1.35 1.35 ! 0.9442 542:20 Intra 2.45, 2.47 A assign (resid 63 and name HA) (resid 64 and name HB) 4.15 2.35 2.35 ! 0.0000 543:20 Seq 4.33, 4.52 A assign (resid 95 and name HA) (resid 95 and name HB) 3.65 1.85 1.85 ! 0.8943 544:20 Ambig 2.43, 2.48 A or (resid 90 and name HA) (resid 95 and name HB) ! 0.1057 544:20 ----- 3.46, 4.14 A assign (resid 44 and name HB) (resid 40 and name HB2) 3.65 1.85 1.85 ! 0.8850 546:20 Ambig 3.22, 3.92 A or (resid 41 and name HA) (resid 40 and name HB2) ! 0.1150 546:20 ----- 4.52, 5.81 A assign (resid 42 and name HA) (resid 42 and name HB2) 3.15 1.35 1.35 ! 0.9856 547:20 Intra 3.01, 3.03 A assign (resid 66 and name HA) (resid 42 and name HB2) 3.65 1.85 1.85 ! 0.5543 548:20 Ambig 4.48, 5.40 A or (resid 44 and name HA) (resid 42 and name HB2) ! 0.4457 548:20 ----- 4.64, 5.13 A assign (resid 121 and name HA) (resid 120 and name HB2) 4.15 2.35 2.35 ! 0.5215 549:20 Ambig 4.72, 5.41 A or (resid 119 and name HA) (resid 120 and name HB2) ! 0.2096 549:20 ----- 5.49, 5.70 A or (resid 43 and name HA1) (resid 40 and name HB1) ! 0.1990 549:20 ----- 5.54, 6.50 A assign (resid 44 and name HB) (resid 40 and name HB1) 3.65 1.85 1.85 ! 0.9772 550:20 Mid 2.03, 2.88 A assign (resid 6 and name HA) (resid 6 and name HB2) 3.15 1.35 1.35 ! 0.9602 552:20 Intra 2.44, 2.90 A assign (resid 6 and name HA) (resid 6 and name HB1) 3.65 1.85 1.85 ! 0.9581 553:20 Intra 2.44, 2.63 A assign (resid 57 and name HA) (resid 57 and name HB*) 2.65 0.85 0.85 ! 0.0000 554:20 Intra 2.35, 2.57 A assign (resid 49 and name HA) (resid 50 and name HB*) 3.65 1.85 1.85 ! 0.9385 557:20 Seq 4.34, 4.61 A assign (resid 106 and name HA) (resid 100 and name HB1) 4.15 2.35 2.35 ! 0.0000 558:20 Long 3.40, 4.63 A assign (resid 105 and name HA) (resid 105 and name HB2) 2.65 0.85 0.85 ! 0.9590 559:20 Intra 2.46, 2.61 A assign (resid 105 and name HA) (resid 105 and name HB1) 2.65 0.85 0.85 ! 0.9362 560:20 Intra 2.41, 2.81 A assign (resid 79 and name HA) (resid 55 and name HB1) 3.65 1.85 1.85 ! 0.9561 561:20 Long 2.31, 3.12 A assign (resid 55 and name HA) (resid 55 and name HB1) 3.15 1.35 1.35 ! 0.0000 562:20 Intra 3.03, 3.04 A assign (resid 78 and name HD1) (resid 76 and name HB1) 3.15 1.35 1.35 ! 0.5645 563:20 Ambig 3.91, 4.52 A or (resid 75 and name HA2) (resid 76 and name HB1) ! 0.2636 563:20 ----- 4.44, 4.60 A or (resid 78 and name HA) (resid 76 and name HB1) ! 0.1130 563:20 ----- 5.12, 5.74 A assign (resid 61 and name HA) (resid 76 and name HB1) 4.15 2.35 2.35 ! 0.0000 564:20 Long 4.46, 4.93 A assign (resid 122 and name HA) (resid 122 and name HB) 3.15 1.35 1.35 ! 0.9210 565:20 Intra 3.02, 3.04 A assign (resid 64 and name HA) (resid 64 and name HB) 3.15 1.35 1.35 ! 0.9393 566:20 Intra 3.01, 3.03 A assign (resid 85 and name HB2) (resid 99 and name HB2) 4.15 2.35 2.35 ! 0.0000 567:20 Long 4.35, 4.94 A assign (resid 85 and name HB2) (resid 99 and name HB1) 3.65 1.85 1.85 ! 0.0000 568:20 Long 2.68, 3.33 A assign (resid 56 and name HA1) (resid 57 and name HB*) 4.15 2.35 2.35 ! 0.0000 572:20 Seq 4.05, 4.95 A assign (resid 119 and name HD2) (resid 120 and name HB1) 4.15 2.35 2.35 ! 0.8764 576:20 Ambig 3.99, 4.74 A or (resid 119 and name HD1) (resid 120 and name HB1) ! 0.1236 576:20 ----- 5.54, 6.31 A assign (resid 85 and name HB2) (resid 97 and name HB) 3.65 1.85 1.85 ! 0.0000 578:20 Long 2.17, 2.45 A assign (resid 75 and name HA1) (resid 64 and name HB) 4.15 2.35 2.35 ! 0.0000 579:20 Long 5.48, 5.90 A assign (resid 85 and name HB1) (resid 99 and name HB2) 3.65 1.85 1.85 ! 0.0000 583:20 Long 3.67, 4.38 A assign (resid 115 and name HG1) (resid 122 and name HB) 3.65 1.85 1.85 ! 0.7461 603:20 Ambig 2.08, 4.57 A or (resid 115 and name HG2) (resid 122 and name HB) ! 0.2457 603:20 ----- 2.50, 4.70 A assign (resid 99 and name HB1) (resid 97 and name HB) 3.65 1.85 1.85 ! 0.6612 604:20 Ambig 4.14, 4.40 A or (resid 98 and name HA1) (resid 97 and name HB) ! 0.2041 604:20 ----- 5.04, 5.11 A or (resid 109 and name HB2) (resid 97 and name HB) ! 0.0776 604:20 ----- 5.92, 6.01 A assign (resid 85 and name HB1) (resid 97 and name HB) 3.65 1.85 1.85 ! 0.9884 605:20 Long 2.23, 2.50 A assign (resid 72 and name HB2) (resid 64 and name HB) 3.15 1.35 1.35 ! 0.9950 607:20 Long 2.00, 2.35 A assign (resid 58 and name HG*) (resid 57 and name HB*) 3.65 1.85 1.85 ! 0.0000 609:20 Seq 2.55, 5.28 A assign (resid 61 and name HB) (resid 76 and name HB2) 4.15 2.35 2.35 ! 0.9524 611:20 Long 3.47, 4.58 A assign (resid 106 and name HB1) (resid 105 and name HB1) 4.15 2.35 2.35 ! 0.5828 613:20 Ambig 4.65, 5.92 A or (resid 64 and name HB) (resid 105 and name HB1) ! 0.4172 613:20 ----- 4.91, 6.87 A assign (resid 101 and name HB*) (resid 105 and name HB2) 3.65 1.85 1.85 ! 0.0000 614:20 Mid 2.23, 5.07 A assign (resid 101 and name HB*) (resid 105 and name HB1) 3.65 1.85 1.85 ! 0.0000 615:20 Mid 2.24, 4.53 A assign (resid 115 and name HB1) (resid 122 and name HB) 3.65 1.85 1.85 ! 0.9955 617:20 Long 2.04, 3.45 A assign (resid 72 and name HG*) (resid 64 and name HB) 3.15 1.35 1.35 ! 0.8224 619:20 Ambig 3.78, 4.60 A or (resid 63 and name HB*) (resid 64 and name HB) ! 0.1520 619:20 ----- 5.00, 5.73 A assign (resid 72 and name HB1) (resid 64 and name HB) 3.15 1.35 1.35 ! 0.0000 620:20 Long 3.26, 3.59 A assign (resid 81 and name HB*) (resid 55 and name HB2) 4.15 2.35 2.35 ! 0.9021 621:20 Long 2.98, 4.61 A assign (resid 64 and name HG2*) (resid 105 and name HB2) 3.65 1.85 1.85 ! 0.9118 624:20 Long 2.81, 4.91 A assign (resid 64 and name HG2*) (resid 105 and name HB1) 3.65 1.85 1.85 ! 0.9354 625:20 Long 2.23, 4.87 A assign (resid 77 and name HD2*) (resid 55 and name HB1) 3.65 1.85 1.85 ! 0.7450 626:20 Ambig 3.40, 4.60 A or (resid 79 and name HB*) (resid 55 and name HB1) ! 0.1540 626:20 ----- 4.43, 5.56 A or (resid 83 and name HG12) (resid 55 and name HB1) ! 0.1010 626:20 ----- 4.75, 5.45 A assign (resid 77 and name HB1) (resid 76 and name HB1) 4.15 2.35 2.35 ! 0.5104 627:20 Ambig 6.19, 6.42 A or (resid 62 and name HG2*) (resid 76 and name HB1) ! 0.4896 627:20 ----- 6.24, 7.44 A assign (resid 122 and name HG12) (resid 122 and name HB) 2.65 0.85 0.85 ! 0.0000 629:20 Intra 2.43, 2.82 A assign (resid 97 and name HG11) (resid 97 and name HB) 3.15 1.35 1.35 ! 0.0000 630:20 Intra 2.51, 2.53 A assign (resid 122 and name HG2*) (resid 122 and name HB) 2.30 0.50 0.50 ! 0.5828 631:20 Ambig 2.42, 2.64 A or (resid 122 and name HD1*) (resid 122 and name HB) ! 0.4172 631:20 ----- 2.56, 3.43 A assign (resid 64 and name HG12) (resid 64 and name HB) 2.65 0.85 0.85 ! 0.0000 632:20 Intra 2.52, 2.94 A assign (resid 64 and name HG11) (resid 64 and name HB) 3.15 1.35 1.35 ! 0.0000 633:20 Intra 2.46, 2.59 A assign (resid 64 and name HG2*) (resid 64 and name HB) 2.65 0.85 0.85 ! 0.0000 634:20 Intra 2.38, 2.64 A assign (resid 95 and name HG2*) (resid 95 and name HB) 2.65 0.85 0.85 ! 0.5711 636:20 Ambig 2.39, 2.62 A or (resid 95 and name HD1*) (resid 95 and name HB) ! 0.4038 636:20 ----- 2.53, 3.15 A assign (resid 83 and name HG2*) (resid 99 and name HB2) 3.65 1.85 1.85 ! 0.9562 637:20 Long 3.02, 3.75 A assign (resid 83 and name HG2*) (resid 99 and name HB1) 3.65 1.85 1.85 ! 0.7128 638:20 Ambig 3.09, 3.81 A or (resid 97 and name HD1*) (resid 99 and name HB1) ! 0.2872 638:20 ----- 3.60, 5.09 A assign (resid 107 and name HG2*) (resid 105 and name HB2) 3.65 1.85 1.85 ! 0.0000 639:20 Mid 2.85, 4.52 A assign (resid 107 and name HG2*) (resid 105 and name HB1) 3.65 1.85 1.85 ! 0.0000 640:20 Mid 2.53, 3.82 A assign (resid 97 and name HD1*) (resid 97 and name HB) 3.15 1.35 1.35 ! 0.9608 641:20 Intra 2.56, 3.12 A assign (resid 97 and name HG2*) (resid 97 and name HB) 2.65 0.85 0.85 ! 0.0000 642:20 Intra 2.41, 2.63 A assign (resid 111 and name HG1*) (resid 97 and name HB) 4.15 2.35 2.35 ! 0.0000 643:20 Long 4.37, 5.23 A assign (resid 111 and name HG2*) (resid 95 and name HB) 3.65 1.85 1.85 ! 0.0000 644:20 Long 4.81, 5.46 A assign (resid 89 and name HN) (resid 88 and name HB) 3.15 1.35 1.35 ! 0.0000 645:20 Seq 3.91, 4.13 A assign (resid 102 and name HN) (resid 102 and name HB2) 3.65 1.85 1.85 ! 0.0000 646:20 Intra 3.55, 3.60 A assign (resid 102 and name HN) (resid 102 and name HB1) 3.65 1.85 1.85 ! 0.0000 647:20 Intra 2.42, 2.56 A assign (resid 88 and name HN) (resid 87 and name HG2) 3.15 1.35 1.35 ! 0.9902 648:20 Seq 2.64, 3.17 A assign (resid 88 and name HN) (resid 87 and name HG1) 3.15 1.35 1.35 ! 0.9896 649:20 Seq 2.90, 3.12 A assign (resid 88 and name HN) (resid 88 and name HB) 3.15 1.35 1.35 ! 0.9988 650:20 Intra 2.50, 2.63 A assign (resid 38 and name HN) (resid 38 and name HB2) 3.65 1.85 1.85 ! 0.0000 651:20 Intra 2.50, 2.71 A assign (resid 38 and name HN) (resid 38 and name HB1) 3.15 1.35 1.35 ! 0.0000 652:20 Intra 2.55, 3.39 A assign (resid 70 and name HN) (resid 70 and name HB1) 3.65 1.85 1.85 ! 0.0000 653:20 Intra 2.45, 3.00 A assign (resid 70 and name HD21) (resid 70 and name HB1) 3.65 1.85 1.85 ! 0.0000 654:20 Intra 2.19, 2.53 A assign (resid 70 and name HN) (resid 70 and name HB2) 3.65 1.85 1.85 ! 0.9980 655:20 Intra 2.44, 2.92 A assign (resid 103 and name HD21) (resid 103 and name HB2) 2.65 0.85 0.85 ! 0.0000 656:20 Intra 2.21, 2.63 A assign (resid 103 and name HD21) (resid 103 and name HB1) 3.15 1.35 1.35 ! 0.6435 658:20 Ambig 2.17, 2.68 A or (resid 103 and name HN) (resid 103 and name HB1) ! 0.3565 658:20 ----- 2.39, 2.75 A assign (resid 50 and name HN) (resid 49 and name HG2) 3.65 1.85 1.85 ! 0.9892 659:20 Seq 3.02, 3.77 A assign (resid 50 and name HN) (resid 49 and name HG1) 3.65 1.85 1.85 ! 0.9969 660:20 Seq 2.26, 3.15 A assign (resid 39 and name HN) (resid 38 and name HB2) 3.65 1.85 1.85 ! 0.8876 661:20 Ambig 3.56, 3.93 A or (resid 37 and name HN) (resid 38 and name HB2) ! 0.1124 661:20 ----- 5.03, 6.22 A assign (resid 39 and name HN) (resid 38 and name HB1) 3.65 1.85 1.85 ! 0.9939 662:20 Seq 2.63, 3.13 A assign (resid 102 and name HD*) (resid 102 and name HB2) 3.15 1.35 1.35 ! 0.0000 663:20 Intra 2.32, 3.05 A assign (resid 102 and name HD*) (resid 102 and name HB1) 3.15 1.35 1.35 ! 0.9518 664:20 Intra 2.35, 3.06 A assign (resid 102 and name HE*) (resid 102 and name HB2) 3.65 1.85 1.85 ! 0.0000 665:20 Intra 4.62, 5.05 A assign (resid 102 and name HE*) (resid 102 and name HB1) 3.65 1.85 1.85 ! 0.0000 666:20 Intra 4.64, 5.06 A assign (resid 70 and name HD22) (resid 70 and name HB1) 3.65 1.85 1.85 ! 0.9777 667:20 Intra 3.45, 3.62 A assign (resid 102 and name HE*) (resid 103 and name HB2) 4.15 2.35 2.35 ! 0.0000 668:20 Seq 2.97, 5.29 A assign (resid 103 and name HD22) (resid 103 and name HB2) 3.15 1.35 1.35 ! 0.0000 669:20 Intra 3.45, 3.65 A assign (resid 102 and name HD*) (resid 103 and name HB1) 4.15 2.35 2.35 ! 0.0000 670:20 Seq 2.57, 5.26 A assign (resid 103 and name HD22) (resid 103 and name HB1) 3.65 1.85 1.85 ! 0.0000 671:20 Intra 3.44, 3.67 A assign (resid 46 and name HD*) (resid 87 and name HG2) 4.15 2.35 2.35 ! 0.0000 672:20 Long 3.30, 5.18 A assign (resid 46 and name HD*) (resid 87 and name HG1) 3.65 1.85 1.85 ! 0.0000 673:20 Long 2.44, 4.60 A assign (resid 37 and name HZ3) (resid 88 and name HB) 3.65 1.85 1.85 ! 0.5989 675:20 Ambig 2.46, 3.81 A or (resid 37 and name HH2) (resid 88 and name HB) ! 0.4011 675:20 ----- 2.63, 3.52 A assign (resid 85 and name HE*) (resid 88 and name HB) 4.15 2.35 2.35 ! 0.0000 676:20 Mid 4.60, 6.78 A assign (resid 46 and name HE*) (resid 38 and name HB2) 3.65 1.85 1.85 ! 0.0000 678:20 Long 3.20, 4.31 A assign (resid 46 and name HE*) (resid 38 and name HB1) 3.65 1.85 1.85 ! 0.0000 679:20 Long 2.90, 4.40 A assign (resid 88 and name HA) (resid 88 and name HB) 3.15 1.35 1.35 ! 0.0000 680:20 Intra 3.03, 3.04 A assign (resid 70 and name HA) (resid 70 and name HB2) 2.65 0.85 0.85 ! 0.0000 681:20 Intra 2.45, 2.67 A assign (resid 70 and name HA) (resid 70 and name HB1) 2.65 0.85 0.85 ! 0.0000 682:20 Intra 2.38, 2.73 A assign (resid 87 and name HA) (resid 87 and name HG2) 3.65 1.85 1.85 ! 0.9376 683:20 Intra 3.00, 3.23 A assign (resid 87 and name HA) (resid 87 and name HG1) 3.65 1.85 1.85 ! 0.9959 684:20 Intra 2.51, 2.61 A assign (resid 97 and name HA) (resid 88 and name HB) 4.15 2.35 2.35 ! 0.8692 685:20 Ambig 5.12, 5.54 A or (resid 86 and name HA) (resid 88 and name HB) ! 0.1308 685:20 ----- 7.02, 7.70 A assign (resid 87 and name HA) (resid 88 and name HB) 4.15 2.35 2.35 ! 0.0000 686:20 Seq 4.44, 4.63 A assign (resid 101 and name HA) (resid 102 and name HB2) 4.15 2.35 2.35 ! 0.0000 687:20 Seq 5.83, 5.92 A assign (resid 102 and name HA) (resid 102 and name HB2) 3.15 1.35 1.35 ! 0.0000 688:20 Intra 2.43, 2.48 A assign (resid 102 and name HA) (resid 102 and name HB1) 2.65 0.85 0.85 ! 0.9863 689:20 Intra 2.34, 2.42 A assign (resid 103 and name HA) (resid 103 and name HB2) 2.65 0.85 0.85 ! 0.0000 692:20 Intra 2.42, 2.54 A assign (resid 103 and name HA) (resid 103 and name HB1) 2.65 0.85 0.85 ! 0.0000 693:20 Intra 2.41, 2.75 A assign (resid 49 and name HA) (resid 49 and name HG2) 3.15 1.35 1.35 ! 0.9903 695:20 Intra 3.07, 3.42 A assign (resid 49 and name HA) (resid 49 and name HG1) 3.15 1.35 1.35 ! 0.0000 696:20 Intra 2.51, 2.73 A assign (resid 38 and name HA) (resid 38 and name HB2) 3.15 1.35 1.35 ! 0.0000 697:20 Intra 2.46, 2.87 A assign (resid 38 and name HA) (resid 38 and name HB1) 3.15 1.35 1.35 ! 0.0000 698:20 Intra 2.41, 2.65 A assign (resid 46 and name HB2) (resid 87 and name HG2) 3.65 1.85 1.85 ! 0.0000 704:20 Long 2.40, 3.04 A assign (resid 46 and name HB2) (resid 87 and name HG1) 3.65 1.85 1.85 ! 0.0000 705:20 Long 2.31, 3.03 A assign (resid 38 and name HE*) (resid 38 and name HB2) 3.65 1.85 1.85 ! 0.0000 713:20 Intra 1.89, 4.12 A assign (resid 38 and name HE*) (resid 38 and name HB1) 3.65 1.85 1.85 ! 0.0000 714:20 Intra 2.07, 4.19 A assign (resid 101 and name HB*) (resid 102 and name HB2) 4.15 2.35 2.35 ! 0.0000 715:20 Seq 5.27, 6.35 A assign (resid 101 and name HB*) (resid 102 and name HB1) 3.65 1.85 1.85 ! 0.0000 716:20 Seq 4.34, 5.56 A assign (resid 87 and name HB2) (resid 87 and name HG2) 2.65 0.85 0.85 ! 0.9781 718:20 Intra 2.99, 3.00 A assign (resid 87 and name HB2) (resid 87 and name HG1) 2.65 0.85 0.85 ! 0.9679 719:20 Intra 2.38, 2.46 A assign (resid 87 and name HB1) (resid 87 and name HG2) 2.65 0.85 0.85 ! 0.9873 720:20 Intra 2.37, 2.41 A assign (resid 87 and name HB1) (resid 87 and name HG1) 3.15 1.35 1.35 ! 0.9652 721:20 Intra 3.00, 3.01 A assign (resid 51 and name HB*) (resid 49 and name HG2) 3.65 1.85 1.85 ! 0.0000 723:20 Mid 2.74, 4.31 A assign (resid 88 and name HG1*) (resid 49 and name HG2) 4.15 2.35 2.35 ! 0.0000 731:20 Long 4.21, 6.22 A assign (resid 88 and name HG1*) (resid 88 and name HB) 2.65 0.85 0.85 ! 0.9762 732:20 Intra 2.42, 2.63 A assign (resid 51 and name HB*) (resid 49 and name HG1) 3.65 1.85 1.85 ! 0.0000 733:20 Mid 2.85, 4.86 A assign (resid 38 and name HG*) (resid 38 and name HB2) 2.65 0.85 0.85 ! 0.0000 735:20 Intra 2.36, 2.69 A assign (resid 38 and name HG*) (resid 38 and name HB1) 2.65 0.85 0.85 ! 0.0000 737:20 Intra 2.36, 2.70 A assign (resid 47 and name HG2) (resid 88 and name HB) 3.15 1.35 1.35 ! 0.0000 738:20 Long 2.23, 2.68 A assign (resid 47 and name HG1) (resid 88 and name HB) 3.65 1.85 1.85 ! 0.0000 739:20 Long 1.92, 2.84 A assign (resid 97 and name HG2*) (resid 88 and name HB) 4.15 2.35 2.35 ! 0.0000 740:20 Long 5.09, 6.55 A assign (resid 92 and name HN) (resid 91 and name HG2) 3.65 1.85 1.85 ! 0.9402 741:20 Seq 4.11, 4.40 A assign (resid 92 and name HN) (resid 91 and name HG1) 3.65 1.85 1.85 ! 0.9964 742:20 Seq 2.68, 3.02 A assign (resid 53 and name HN) (resid 52 and name HB) 3.65 1.85 1.85 ! 0.0000 743:20 Seq 3.46, 3.86 A assign (resid 131 and name HN) (resid 52 and name HB) 3.65 1.85 1.85 ! 0.0000 744:20 Long 2.98, 3.53 A assign (resid 63 and name HN) (resid 63 and name HB*) 3.65 1.85 1.85 ! 0.9877 745:20 Intra 2.55, 3.16 A assign (resid 98 and name HN) (resid 87 and name HB1) 3.65 1.85 1.85 ! 0.0000 746:20 Long 2.62, 3.12 A assign (resid 131 and name HN) (resid 131 and name HB2) 3.65 1.85 1.85 ! 0.0000 747:20 Intra 2.48, 2.81 A assign (resid 131 and name HN) (resid 131 and name HB1) 3.65 1.85 1.85 ! 0.0000 748:20 Intra 2.59, 3.32 A assign (resid 120 and name HN) (resid 119 and name HB2) 3.65 1.85 1.85 ! 0.8617 749:20 Ambig 3.18, 3.89 A or (resid 36 and name HN) (resid 119 and name HB2) ! 0.0707 749:20 ----- 4.82, 7.01 A assign (resid 116 and name HN) (resid 115 and name HG2) 3.65 1.85 1.85 ! 0.9916 751:20 Seq 2.06, 4.11 A assign (resid 86 and name HN) (resid 87 and name HB2) 3.65 1.85 1.85 ! 0.5198 752:20 Ambig 3.97, 4.48 A or (resid 88 and name HN) (resid 87 and name HB2) ! 0.4443 752:20 ----- 4.08, 4.20 A assign (resid 64 and name HN) (resid 63 and name HB*) 3.65 1.85 1.85 ! 0.9963 753:20 Seq 2.60, 3.31 A assign (resid 111 and name HN) (resid 111 and name HB) 4.15 2.35 2.35 ! 0.9782 754:20 Intra 3.88, 3.95 A assign (resid 130 and name HN) (resid 129 and name HB) 3.15 1.35 1.35 ! 0.7512 756:20 Ambig 3.85, 4.06 A or (resid 99 and name HN) (resid 87 and name HB1) ! 0.2488 756:20 ----- 4.62, 5.06 A assign (resid 129 and name HN) (resid 129 and name HB) 3.15 1.35 1.35 ! 0.0000 757:20 Intra 2.53, 2.61 A assign (resid 107 and name HN) (resid 107 and name HB) 3.15 1.35 1.35 ! 0.9887 758:20 Intra 2.47, 2.60 A assign (resid 99 and name HN) (resid 107 and name HB) 3.65 1.85 1.85 ! 0.0000 759:20 Long 3.60, 4.02 A assign (resid 47 and name HN) (resid 47 and name HB1) 3.15 1.35 1.35 ! 0.7524 760:20 Ambig 3.17, 3.28 A or (resid 108 and name HN) (resid 107 and name HB) ! 0.2476 760:20 ----- 3.81, 3.95 A assign (resid 47 and name HN) (resid 47 and name HB2) 3.65 1.85 1.85 ! 0.0000 761:20 Intra 3.84, 3.93 A assign (resid 40 and name HN) (resid 39 and name HB2) 3.65 1.85 1.85 ! 0.0000 762:20 Seq 4.09, 4.20 A assign (resid 40 and name HN) (resid 39 and name HB1) 3.65 1.85 1.85 ! 0.0000 763:20 Seq 3.95, 4.14 A assign (resid 52 and name HN) (resid 52 and name HB) 3.15 1.35 1.35 ! 0.9962 764:20 Intra 2.48, 2.63 A assign (resid 115 and name HN) (resid 115 and name HG2) 3.65 1.85 1.85 ! 0.0000 765:20 Intra 2.12, 3.97 A assign (resid 115 and name HN) (resid 115 and name HG1) 3.65 1.85 1.85 ! 0.0000 766:20 Intra 2.65, 3.87 A assign (resid 115 and name HE21) (resid 115 and name HG1) 4.15 2.35 2.35 ! 0.0000 767:20 Intra 2.22, 2.82 A assign (resid 87 and name HN) (resid 87 and name HB2) 3.65 1.85 1.85 ! 0.0000 768:20 Intra 2.91, 3.10 A assign (resid 50 and name HN) (resid 49 and name HB*) 3.65 1.85 1.85 ! 0.7629 769:20 Ambig 3.63, 4.22 A or (resid 87 and name HN) (resid 49 and name HB*) ! 0.2087 769:20 ----- 4.51, 6.32 A assign (resid 50 and name HN) (resid 49 and name HB*) 3.65 1.85 1.85 ! 0.7629 770:20 Ambig 3.63, 4.22 A or (resid 87 and name HN) (resid 49 and name HB*) ! 0.2087 770:20 ----- 4.51, 6.32 A assign (resid 49 and name HN) (resid 49 and name HB*) 3.65 1.85 1.85 ! 0.0000 771:20 Intra 2.63, 3.20 A assign (resid 58 and name HN) (resid 58 and name HG*) 3.65 1.85 1.85 ! 0.0000 773:20 Intra 2.28, 3.35 A assign (resid 58 and name HE21) (resid 58 and name HG*) 3.15 1.35 1.35 ! 0.0000 774:20 Intra 2.19, 2.93 A assign (resid 91 and name HE21) (resid 91 and name HG2) 3.15 1.35 1.35 ! 0.9978 775:20 Intra 2.19, 2.31 A assign (resid 91 and name HE21) (resid 91 and name HG1) 3.15 1.35 1.35 ! 0.9984 776:20 Intra 2.28, 3.41 A assign (resid 37 and name HE3) (resid 47 and name HB2) 3.65 1.85 1.85 ! 0.4565 777:20 Ambig 4.85, 5.23 A or (resid 37 and name HD1) (resid 47 and name HB2) ! 0.3464 777:20 ----- 5.08, 5.93 A or (resid 37 and name HZ2) (resid 47 and name HB2) ! 0.1970 777:20 ----- 5.58, 6.19 A assign (resid 37 and name HE3) (resid 47 and name HB1) 3.65 1.85 1.85 ! 0.7733 778:20 Ambig 3.13, 3.54 A or (resid 37 and name HD1) (resid 47 and name HB1) ! 0.1527 778:20 ----- 4.10, 4.83 A assign (resid 39 and name HN) (resid 39 and name HB2) 3.15 1.35 1.35 ! 0.0000 779:20 Intra 2.58, 2.79 A assign (resid 39 and name HN) (resid 39 and name HB1) 3.15 1.35 1.35 ! 0.0000 780:20 Intra 2.45, 2.57 A assign (resid 115 and name HE22) (resid 115 and name HG1) 4.15 2.35 2.35 ! 0.0000 781:20 Intra 3.46, 3.74 A assign (resid 130 and name HE*) (resid 111 and name HB) 3.15 1.35 1.35 ! 0.8928 782:20 Ambig 2.46, 3.57 A or (resid 53 and name HD*) (resid 111 and name HB) ! 0.0937 782:20 ----- 3.59, 4.64 A assign (resid 96 and name HZ3) (resid 63 and name HB*) 3.65 1.85 1.85 ! 0.0000 783:20 Long 2.55, 3.68 A assign (resid 130 and name HZ) (resid 111 and name HB) 3.15 1.35 1.35 ! 0.9986 784:20 Long 1.94, 2.20 A assign (resid 96 and name HH2) (resid 63 and name HB*) 3.65 1.85 1.85 ! 0.0000 785:20 Long 3.95, 4.75 A assign (resid 57 and name HD22) (resid 58 and name HG*) 3.65 1.85 1.85 ! 0.9226 786:20 Seq 2.29, 4.47 A assign (resid 85 and name HE*) (resid 49 and name HB*) 3.65 1.85 1.85 ! 0.9916 787:20 Long 2.74, 6.34 A assign (resid 68 and name HD*) (resid 91 and name HG2) 3.65 1.85 1.85 ! 0.8412 789:20 Ambig 3.74, 4.84 A or (resid 68 and name HE*) (resid 91 and name HG2) ! 0.1310 789:20 ----- 5.09, 6.20 A assign (resid 91 and name HE22) (resid 91 and name HG2) 3.65 1.85 1.85 ! 0.0000 790:20 Intra 3.47, 3.52 A assign (resid 68 and name HD*) (resid 91 and name HG1) 4.15 2.35 2.35 ! 0.9702 791:20 Long 4.27, 5.91 A assign (resid 91 and name HE22) (resid 91 and name HG1) 3.15 1.35 1.35 ! 0.0000 792:20 Intra 3.50, 4.03 A assign (resid 99 and name HE*) (resid 107 and name HB) 3.15 1.35 1.35 ! 0.9973 793:20 Long 2.71, 3.71 A assign (resid 52 and name HA) (resid 52 and name HB) 3.15 1.35 1.35 ! 0.9769 794:20 Intra 2.97, 3.02 A assign (resid 87 and name HA) (resid 87 and name HB2) 3.15 1.35 1.35 ! 0.9920 795:20 Intra 2.40, 2.45 A assign (resid 63 and name HA) (resid 63 and name HB*) 3.15 1.35 1.35 ! 0.9767 796:20 Intra 2.39, 2.73 A assign (resid 87 and name HA) (resid 87 and name HB1) 3.65 1.85 1.85 ! 0.8193 797:20 Ambig 3.00, 3.01 A or (resid 98 and name HA2) (resid 87 and name HB1) ! 0.1807 797:20 ----- 3.86, 4.17 A assign (resid 115 and name HA) (resid 115 and name HG2) 3.65 1.85 1.85 ! 0.0000 799:20 Intra 2.56, 3.13 A assign (resid 115 and name HA) (resid 115 and name HG1) 3.65 1.85 1.85 ! 0.0000 800:20 Intra 2.56, 3.15 A assign (resid 119 and name HA) (resid 119 and name HB2) 2.65 0.85 0.85 ! 0.0000 801:20 Intra 2.63, 2.74 A assign (resid 119 and name HA) (resid 119 and name HB1) 3.15 1.35 1.35 ! 0.9646 802:20 Intra 2.24, 2.29 A assign (resid 111 and name HA) (resid 111 and name HB) 2.65 0.85 0.85 ! 0.9978 803:20 Intra 2.42, 2.46 A assign (resid 49 and name HA) (resid 49 and name HB*) 2.65 0.85 0.85 ! 0.9895 804:20 Intra 2.41, 2.76 A assign (resid 129 and name HA) (resid 129 and name HB) 2.65 0.85 0.85 ! 0.9454 805:20 Intra 3.03, 3.04 A assign (resid 131 and name HA) (resid 131 and name HB2) 3.15 1.35 1.35 ! 0.9878 807:20 Intra 2.43, 2.82 A assign (resid 131 and name HA) (resid 131 and name HB1) 3.15 1.35 1.35 ! 0.9927 808:20 Intra 2.43, 2.71 A assign (resid 91 and name HA) (resid 91 and name HG1) 3.15 1.35 1.35 ! 0.0000 809:20 Intra 3.11, 3.27 A assign (resid 37 and name HA) (resid 47 and name HB1) 3.15 1.35 1.35 ! 0.9066 810:20 Long 2.07, 2.42 A assign (resid 37 and name HA) (resid 47 and name HB2) 3.15 1.35 1.35 ! 0.0000 813:20 Long 3.30, 3.76 A assign (resid 39 and name HA) (resid 39 and name HB1) 3.15 1.35 1.35 ! 0.0000 814:20 Intra 3.00, 3.02 A assign (resid 119 and name HD2) (resid 119 and name HB2) 3.15 1.35 1.35 ! 0.8618 816:20 Ambig 2.81, 3.56 A or (resid 119 and name HD1) (resid 119 and name HB2) ! 0.1291 816:20 ----- 3.86, 4.03 A assign (resid 119 and name HD1) (resid 119 and name HB1) 3.15 1.35 1.35 ! 0.7486 817:20 Ambig 2.99, 3.58 A or (resid 119 and name HD2) (resid 119 and name HB1) ! 0.1798 817:20 ----- 3.79, 3.89 A assign (resid 63 and name HD1) (resid 63 and name HB*) 3.15 1.35 1.35 ! 0.5254 818:20 Ambig 2.48, 3.30 A or (resid 63 and name HD2) (resid 63 and name HB*) ! 0.4746 818:20 ----- 2.53, 3.38 A assign (resid 52 and name HB) (resid 131 and name HB1) 3.65 1.85 1.85 ! 0.0000 820:20 Long 1.89, 2.87 A assign (resid 52 and name HB) (resid 131 and name HB2) 3.65 1.85 1.85 ! 0.0000 821:20 Long 1.85, 2.72 A assign (resid 36 and name HB*) (resid 47 and name HB2) 3.65 1.85 1.85 ! 0.7199 822:20 Ambig 2.56, 4.01 A or (resid 48 and name HD1) (resid 47 and name HB2) ! 0.2801 822:20 ----- 3.00, 3.55 A assign (resid 36 and name HB*) (resid 47 and name HB1) 3.65 1.85 1.85 ! 0.8580 823:20 Ambig 2.91, 4.30 A or (resid 48 and name HD1) (resid 47 and name HB1) ! 0.1420 823:20 ----- 3.92, 4.40 A assign (resid 48 and name HD2) (resid 47 and name HB1) 3.15 1.35 1.35 ! 0.0000 824:20 Seq 3.71, 4.10 A assign (resid 48 and name HD2) (resid 47 and name HB2) 3.65 1.85 1.85 ! 0.0000 825:20 Seq 2.22, 2.71 A assign (resid 98 and name HA1) (resid 87 and name HB2) 3.65 1.85 1.85 ! 0.0000 828:20 Long 3.66, 4.16 A assign (resid 87 and name HG1) (resid 87 and name HB2) 2.65 0.85 0.85 ! 0.7952 829:20 Ambig 2.38, 2.46 A or (resid 87 and name HG2) (resid 87 and name HB2) ! 0.2048 829:20 ----- 2.99, 3.00 A assign (resid 87 and name HG2) (resid 88 and name HB) 3.65 1.85 1.85 ! 0.5972 830:20 Ambig 4.89, 5.40 A or (resid 87 and name HG1) (resid 88 and name HB) ! 0.4028 830:20 ----- 5.22, 5.58 A assign (resid 108 and name HB2) (resid 63 and name HB*) 4.15 2.35 2.35 ! 0.8669 834:20 Ambig 2.37, 3.47 A or (resid 67 and name HA) (resid 63 and name HB*) ! 0.1331 834:20 ----- 3.24, 3.87 A assign (resid 98 and name HA1) (resid 87 and name HB1) 3.65 1.85 1.85 ! 0.8462 836:20 Ambig 2.18, 2.50 A or (resid 106 and name HD2) (resid 87 and name HB1) ! 0.1298 836:20 ----- 2.98, 4.97 A assign (resid 87 and name HG2) (resid 87 and name HB1) 2.65 0.85 0.85 ! 0.8058 837:20 Ambig 2.37, 2.41 A or (resid 87 and name HG1) (resid 87 and name HB1) ! 0.1942 837:20 ----- 3.00, 3.01 A assign (resid 131 and name HE*) (resid 131 and name HB1) 3.65 1.85 1.85 ! 0.0000 838:20 Intra 2.07, 4.20 A assign (resid 131 and name HE*) (resid 131 and name HB2) 3.65 1.85 1.85 ! 0.0000 839:20 Intra 2.21, 4.29 A assign (resid 91 and name HB2) (resid 91 and name HG2) 3.15 1.35 1.35 ! 0.9748 840:20 Intra 2.36, 2.41 A assign (resid 91 and name HB2) (resid 91 and name HG1) 3.15 1.35 1.35 ! 0.9596 842:20 Intra 3.00, 3.01 A assign (resid 39 and name HE2) (resid 39 and name HB2) 3.65 1.85 1.85 ! 0.0000 843:20 Intra 2.83, 3.96 A assign (resid 39 and name HE2) (resid 39 and name HB1) 3.65 1.85 1.85 ! 0.0000 844:20 Intra 1.94, 3.59 A assign (resid 131 and name HB1) (resid 52 and name HB) 3.65 1.85 1.85 ! 0.9986 845:20 Long 1.89, 2.87 A assign (resid 51 and name HB*) (resid 52 and name HB) 3.65 1.85 1.85 ! 0.0000 846:20 Seq 4.60, 5.67 A assign (resid 119 and name HG2) (resid 119 and name HB2) 2.30 0.50 0.50 ! 0.6002 850:20 Ambig 2.26, 2.30 A or (resid 115 and name HB2) (resid 115 and name HG2) ! 0.3926 850:20 ----- 2.43, 2.77 A assign (resid 119 and name HG1) (resid 119 and name HB2) 3.15 1.35 1.35 ! 0.0000 851:20 Intra 2.65, 2.82 A assign (resid 122 and name HB) (resid 115 and name HG2) 4.15 2.35 2.35 ! 0.9946 853:20 Long 2.50, 4.70 A assign (resid 119 and name HG1) (resid 119 and name HB1) 2.65 0.85 0.85 ! 0.0000 856:20 Intra 2.26, 2.30 A assign (resid 58 and name HB1) (resid 58 and name HG*) 2.65 0.85 0.85 ! 0.0000 857:20 Intra 2.33, 2.61 A assign (resid 51 and name HB*) (resid 49 and name HB*) 4.15 2.35 2.35 ! 0.0000 858:20 Mid 4.74, 6.32 A assign (resid 69 and name HG) (resid 91 and name HG1) 3.15 1.35 1.35 ! 0.6225 866:20 Ambig 3.42, 4.79 A or (resid 92 and name HB*) (resid 91 and name HG1) ! 0.3282 866:20 ----- 3.81, 5.00 A assign (resid 101 and name HB*) (resid 107 and name HB) 3.65 1.85 1.85 ! 0.0000 872:20 Long 2.17, 4.38 A assign (resid 47 and name HE*) (resid 47 and name HB2) 3.65 1.85 1.85 ! 0.9810 873:20 Intra 2.06, 4.15 A assign (resid 47 and name HE*) (resid 47 and name HB1) 3.65 1.85 1.85 ! 0.9795 874:20 Intra 2.76, 4.34 A assign (resid 88 and name HB) (resid 47 and name HB1) 4.15 2.35 2.35 ! 0.0000 876:20 Long 4.53, 4.89 A assign (resid 131 and name HG*) (resid 52 and name HB) 3.65 1.85 1.85 ! 0.0000 878:20 Long 2.95, 4.16 A assign (resid 54 and name HG2*) (resid 52 and name HB) 3.65 1.85 1.85 ! 0.0000 879:20 Mid 3.53, 4.77 A assign (resid 52 and name HG2*) (resid 52 and name HB) 2.65 0.85 0.85 ! 0.9454 880:20 Intra 2.44, 2.65 A assign (resid 122 and name HD1*) (resid 115 and name HG2) 4.15 2.35 2.35 ! 0.5748 881:20 Ambig 3.30, 6.61 A or (resid 122 and name HG2*) (resid 115 and name HG2) ! 0.4130 881:20 ----- 3.49, 6.37 A assign (resid 122 and name HD1*) (resid 115 and name HG1) 4.15 2.35 2.35 ! 0.8926 882:20 Ambig 2.33, 6.51 A or (resid 122 and name HG2*) (resid 115 and name HG1) ! 0.1074 882:20 ----- 3.32, 6.21 A assign (resid 60 and name HD1*) (resid 111 and name HB) 4.15 2.35 2.35 ! 0.7050 883:20 Ambig 4.68, 5.48 A or (resid 60 and name HG2*) (resid 111 and name HB) ! 0.2356 883:20 ----- 5.62, 7.19 A assign (resid 129 and name HG1*) (resid 129 and name HB) 2.30 0.50 0.50 ! 0.5049 884:20 Ambig 2.42, 2.63 A or (resid 129 and name HG2*) (resid 129 and name HB) ! 0.4951 884:20 ----- 2.43, 2.64 A assign (resid 54 and name HG2*) (resid 131 and name HB1) 4.15 2.35 2.35 ! 0.0000 886:20 Long 3.11, 5.16 A assign (resid 51 and name HB*) (resid 131 and name HB2) 4.15 2.35 2.35 ! 0.0000 887:20 Long 4.40, 6.56 A assign (resid 131 and name HG*) (resid 131 and name HB2) 3.15 1.35 1.35 ! 0.0000 888:20 Intra 2.33, 2.64 A assign (resid 131 and name HG*) (resid 131 and name HB1) 3.15 1.35 1.35 ! 0.0000 889:20 Intra 2.39, 2.70 A assign (resid 52 and name HG2*) (resid 131 and name HB2) 3.65 1.85 1.85 ! 0.8897 891:20 Ambig 3.60, 4.71 A or (resid 82 and name HG2*) (resid 131 and name HB2) ! 0.1103 891:20 ----- 5.10, 6.49 A assign (resid 39 and name HD2) (resid 39 and name HB2) 3.15 1.35 1.35 ! 0.0000 896:20 Intra 2.41, 2.96 A assign (resid 39 and name HD1) (resid 39 and name HB2) 3.15 1.35 1.35 ! 0.0000 897:20 Intra 2.38, 2.93 A assign (resid 39 and name HD2) (resid 39 and name HB1) 3.15 1.35 1.35 ! 0.0000 902:20 Intra 2.47, 3.25 A assign (resid 39 and name HD1) (resid 39 and name HB1) 3.15 1.35 1.35 ! 0.0000 903:20 Intra 2.40, 2.82 A assign (resid 111 and name HG2*) (resid 111 and name HB) 2.65 0.85 0.85 ! 0.0000 905:20 Intra 2.41, 2.64 A assign (resid 111 and name HG1*) (resid 111 and name HB) 2.65 0.85 0.85 ! 0.0000 906:20 Intra 2.38, 2.61 A assign (resid 47 and name HG2) (resid 47 and name HB1) 2.65 0.85 0.85 ! 0.6058 907:20 Ambig 2.25, 2.39 A or (resid 107 and name HG2*) (resid 107 and name HB) ! 0.3924 907:20 ----- 2.42, 2.64 A assign (resid 47 and name HG2) (resid 47 and name HB2) 3.15 1.35 1.35 ! 0.0000 908:20 Intra 2.93, 3.00 A assign (resid 47 and name HG1) (resid 47 and name HB2) 3.15 1.35 1.35 ! 0.0000 909:20 Intra 2.43, 2.51 A assign (resid 47 and name HG1) (resid 47 and name HB1) 3.15 1.35 1.35 ! 0.0000 910:20 Intra 2.90, 3.00 A assign (resid 47 and name HD1) (resid 47 and name HB2) 3.65 1.85 1.85 ! 0.0000 911:20 Intra 2.36, 3.09 A assign (resid 39 and name HG1) (resid 39 and name HB2) 3.15 1.35 1.35 ! 0.9921 912:20 Intra 2.40, 2.46 A assign (resid 39 and name HG1) (resid 39 and name HB1) 3.15 1.35 1.35 ! 0.9943 913:20 Intra 3.01, 3.01 A assign (resid 96 and name HN) (resid 96 and name HB2) 3.65 1.85 1.85 ! 0.0000 916:20 Intra 2.45, 2.57 A assign (resid 96 and name HN) (resid 96 and name HB1) 3.65 1.85 1.85 ! 0.0000 917:20 Intra 3.63, 3.71 A assign (resid 96 and name HE1) (resid 94 and name HB2) 3.65 1.85 1.85 ! 0.0000 918:20 Mid 2.11, 2.53 A assign (resid 96 and name HE1) (resid 91 and name HB2) 4.15 2.35 2.35 ! 0.0000 919:20 Long 3.32, 3.61 A assign (resid 96 and name HE1) (resid 94 and name HB1) 3.65 1.85 1.85 ! 0.0000 920:20 Mid 3.68, 3.95 A assign (resid 96 and name HE1) (resid 91 and name HB1) 3.65 1.85 1.85 ! 0.0000 921:20 Long 1.80, 1.94 A assign (resid 96 and name HE1) (resid 91 and name HB1) 3.65 1.85 1.85 ! 0.0000 922:20 Long 1.80, 1.94 A assign (resid 92 and name HN) (resid 91 and name HB1) 3.65 1.85 1.85 ! 0.6696 923:20 Ambig 3.96, 4.11 A or (resid 96 and name HN) (resid 91 and name HB1) ! 0.3304 923:20 ----- 4.45, 5.08 A assign (resid 83 and name HN) (resid 82 and name HB) 3.65 1.85 1.85 ! 0.0000 925:20 Seq 4.24, 4.32 A assign (resid 90 and name HN) (resid 89 and name HB2) 3.15 1.35 1.35 ! 0.0000 926:20 Seq 2.70, 3.81 A assign (resid 89 and name HN) (resid 89 and name HB2) 3.65 1.85 1.85 ! 0.0000 927:20 Intra 2.52, 2.80 A assign (resid 89 and name HN) (resid 96 and name HB1) 4.15 2.35 2.35 ! 0.0000 928:20 Long 4.54, 4.78 A assign (resid 90 and name HN) (resid 89 and name HB1) 3.15 1.35 1.35 ! 0.0000 929:20 Seq 2.67, 3.16 A assign (resid 89 and name HN) (resid 89 and name HB1) 3.15 1.35 1.35 ! 0.0000 930:20 Intra 3.30, 3.69 A assign (resid 82 and name HN) (resid 82 and name HB) 3.15 1.35 1.35 ! 0.0000 931:20 Intra 2.43, 2.53 A assign (resid 97 and name HN) (resid 96 and name HB2) 3.65 1.85 1.85 ! 0.5140 932:20 Ambig 3.93, 4.04 A or (resid 91 and name HN) (resid 96 and name HB2) ! 0.4712 932:20 ----- 3.98, 4.48 A assign (resid 38 and name HN) (resid 37 and name HB2) 3.65 1.85 1.85 ! 0.0000 933:20 Seq 3.79, 4.07 A assign (resid 38 and name HN) (resid 37 and name HB1) 3.65 1.85 1.85 ! 0.0000 934:20 Seq 2.69, 3.10 A assign (resid 97 and name HN) (resid 96 and name HB1) 3.65 1.85 1.85 ! 0.9611 935:20 Seq 2.88, 3.10 A assign (resid 79 and name HN) (resid 78 and name HB2) 3.65 1.85 1.85 ! 0.0000 936:20 Seq 2.65, 2.84 A assign (resid 64 and name HN) (resid 72 and name HB2) 3.65 1.85 1.85 ! 0.9918 937:20 Long 2.42, 2.73 A assign (resid 29 and name HN) (resid 28 and name HB2) 3.15 1.35 1.35 ! 0.5863 938:20 Ambig 2.32, 3.72 A or (resid 33 and name HN) (resid 32 and name HB2) ! 0.3616 938:20 ----- 2.52, 3.74 A assign (resid 73 and name HN) (resid 72 and name HB2) 3.65 1.85 1.85 ! 0.0000 939:20 Seq 3.75, 3.91 A assign (resid 94 and name HN) (resid 94 and name HB2) 3.15 1.35 1.35 ! 0.9841 940:20 Intra 2.79, 2.90 A assign (resid 22 and name HN) (resid 21 and name HB*) 4.15 2.35 2.35 ! 0.7893 941:20 Ambig 1.86, 3.85 A or (resid 21 and name HN) (resid 21 and name HB*) ! 0.2038 941:20 ----- 2.33, 3.14 A assign (resid 74 and name HN) (resid 73 and name HB) 3.15 1.35 1.35 ! 0.9979 942:20 Seq 2.04, 2.95 A assign (resid 79 and name HN) (resid 59 and name HB1) 3.15 1.35 1.35 ! 0.0000 943:20 Long 3.03, 3.77 A assign (resid 73 and name HN) (resid 73 and name HB) 3.15 1.35 1.35 ! 0.0000 944:20 Intra 2.47, 3.17 A assign (resid 17 and name HN) (resid 16 and name HB) 3.15 1.35 1.35 ! 0.7533 945:20 Ambig 2.11, 3.88 A or (resid 17 and name HN) (resid 17 and name HB) ! 0.2190 945:20 ----- 2.59, 3.31 A assign (resid 124 and name HN) (resid 123 and name HB1) 3.65 1.85 1.85 ! 0.0000 946:20 Seq 3.35, 3.80 A assign (resid 113 and name HN) (resid 112 and name HB2) 3.15 1.35 1.35 ! 0.8981 947:20 Ambig 2.54, 2.92 A or (resid 126 and name HN) (resid 112 and name HB2) ! 0.1019 947:20 ----- 3.65, 3.99 A assign (resid 33 and name HN) (resid 28 and name HB1) 3.15 1.35 1.35 ! 0.7672 948:20 Ambig 2.34, 6.67 A or (resid 29 and name HN) (resid 28 and name HB1) ! 0.1179 948:20 ----- 3.20, 4.26 A or (resid 33 and name HN) (resid 32 and name HB1) ! 0.1070 948:20 ----- 3.25, 4.21 A assign (resid 113 and name HN) (resid 125 and name HB) 3.15 1.35 1.35 ! 0.7603 949:20 Ambig 3.35, 4.04 A or (resid 126 and name HN) (resid 125 and name HB) ! 0.2397 949:20 ----- 4.06, 4.24 A assign (resid 125 and name HN) (resid 125 and name HB) 3.15 1.35 1.35 ! 0.9854 950:20 Intra 2.49, 2.54 A assign (resid 61 and name HN) (resid 61 and name HB) 3.15 1.35 1.35 ! 0.0000 951:20 Intra 2.46, 2.90 A assign (resid 94 and name HN) (resid 94 and name HB1) 3.15 1.35 1.35 ! 0.8529 952:20 Ambig 3.82, 3.90 A or (resid 111 and name HN) (resid 94 and name HB1) ! 0.1471 952:20 ----- 5.13, 5.35 A assign (resid 85 and name HN) (resid 84 and name HB) 3.15 1.35 1.35 ! 0.0000 953:20 Seq 4.12, 4.21 A assign (resid 116 and name HN) (resid 115 and name HB2) 3.65 1.85 1.85 ! 0.9954 954:20 Seq 2.53, 3.86 A assign (resid 79 and name HN) (resid 78 and name HB1) 3.15 1.35 1.35 ! 0.0000 955:20 Seq 3.19, 3.48 A assign (resid 79 and name HN) (resid 59 and name HB2) 3.65 1.85 1.85 ! 0.0000 956:20 Long 4.68, 5.21 A assign (resid 55 and name HN) (resid 54 and name HB) 3.65 1.85 1.85 ! 0.0000 959:20 Seq 4.11, 4.27 A assign (resid 54 and name HN) (resid 54 and name HB) 3.15 1.35 1.35 ! 0.0000 960:20 Intra 2.51, 2.61 A assign (resid 129 and name HN) (resid 54 and name HB) 3.65 1.85 1.85 ! 0.0000 961:20 Long 2.79, 3.10 A assign (resid 113 and name HN) (resid 112 and name HB1) 3.15 1.35 1.35 ! 0.5883 963:20 Ambig 3.83, 3.96 A or (resid 126 and name HN) (resid 112 and name HB1) ! 0.4117 963:20 ----- 4.07, 4.65 A assign (resid 127 and name HN) (resid 112 and name HB1) 3.65 1.85 1.85 ! 0.9481 964:20 Long 2.85, 3.55 A assign (resid 114 and name HN) (resid 113 and name HB) 3.15 1.35 1.35 ! 0.9598 966:20 Seq 3.15, 4.04 A assign (resid 16 and name HN) (resid 15 and name HB) 3.65 1.85 1.85 ! 0.3153 967:20 Ambig 2.35, 3.83 A or (resid 15 and name HN) (resid 15 and name HB) ! 0.2355 967:20 ----- 2.47, 3.07 A or (resid 30 and name HN) (resid 30 and name HB) ! 0.2237 967:20 ----- 2.49, 3.27 A or (resid 27 and name HN) (resid 27 and name HB) ! 0.2184 967:20 ----- 2.50, 3.02 A assign (resid 44 and name HN) (resid 44 and name HB) 3.15 1.35 1.35 ! 0.5504 969:20 Ambig 2.44, 2.54 A or (resid 40 and name HD21) (resid 44 and name HB) ! 0.4323 969:20 ----- 2.54, 3.98 A assign (resid 40 and name HD22) (resid 44 and name HB) 4.15 2.35 2.35 ! 0.9900 970:20 Mid 1.87, 4.52 A assign (resid 45 and name HN) (resid 44 and name HB) 3.65 1.85 1.85 ! 0.6690 971:20 Ambig 3.85, 4.00 A or (resid 43 and name HN) (resid 44 and name HB) ! 0.3310 971:20 ----- 4.32, 4.62 A assign (resid 37 and name HN) (resid 37 and name HB2) 3.15 1.35 1.35 ! 0.9582 972:20 Intra 2.37, 2.45 A assign (resid 37 and name HN) (resid 37 and name HB1) 3.15 1.35 1.35 ! 0.8635 973:20 Ambig 3.56, 3.61 A or (resid 39 and name HN) (resid 37 and name HB1) ! 0.0697 973:20 ----- 5.42, 5.80 A assign (resid 37 and name HE3) (resid 37 and name HB1) 2.65 0.85 0.85 ! 0.9187 974:20 Intra 2.44, 2.55 A assign (resid 37 and name HD1) (resid 37 and name HB2) 2.65 0.85 0.85 ! 0.9251 975:20 Intra 2.59, 2.69 A assign (resid 95 and name HN) (resid 94 and name HB2) 3.15 1.35 1.35 ! 0.0000 976:20 Seq 3.52, 3.75 A assign (resid 49 and name HN) (resid 48 and name HB2) 3.65 1.85 1.85 ! 0.0000 977:20 Seq 3.03, 3.66 A assign (resid 91 and name HE21) (resid 91 and name HB2) 3.65 1.85 1.85 ! 0.9977 978:20 Intra 1.90, 2.95 A assign (resid 60 and name HN) (resid 59 and name HB1) 3.15 1.35 1.35 ! 0.0000 979:20 Seq 3.30, 3.59 A assign (resid 7 and name HN) (resid 7 and name HB*) 3.65 1.85 1.85 ! 0.6293 980:20 Ambig 2.29, 3.09 A or (resid 16 and name HN) (resid 16 and name HB) ! 0.3227 980:20 ----- 2.56, 3.32 A assign (resid 95 and name HN) (resid 94 and name HB1) 3.65 1.85 1.85 ! 0.0000 981:20 Seq 2.23, 2.51 A assign (resid 49 and name HN) (resid 48 and name HB1) 3.65 1.85 1.85 ! 0.0000 982:20 Seq 3.47, 3.84 A assign (resid 84 and name HN) (resid 84 and name HB) 2.65 0.85 0.85 ! 0.9840 983:20 Intra 2.74, 2.87 A assign (resid 115 and name HN) (resid 115 and name HB1) 3.15 1.35 1.35 ! 0.9716 984:20 Intra 2.46, 3.25 A assign (resid 60 and name HN) (resid 59 and name HB2) 3.65 1.85 1.85 ! 0.0000 985:20 Seq 3.56, 3.79 A assign (resid 42 and name HN) (resid 41 and name HG*) 3.65 1.85 1.85 ! 0.5263 988:20 Ambig 3.33, 4.73 A or (resid 40 and name HD22) (resid 41 and name HG*) ! 0.4737 988:20 ----- 3.38, 6.89 A assign (resid 91 and name HE21) (resid 91 and name HB1) 4.15 2.35 2.35 ! 0.9844 989:20 Intra 3.47, 4.04 A assign (resid 117 and name HN) (resid 117 and name HB) 3.65 1.85 1.85 ! 0.0000 990:20 Intra 2.69, 3.64 A assign (resid 42 and name HD*) (resid 44 and name HB) 4.15 2.35 2.35 ! 0.6735 992:20 Ambig 3.30, 5.62 A or (resid 46 and name HD*) (resid 44 and name HB) ! 0.3265 992:20 ----- 3.72, 5.86 A assign (resid 96 and name HE3) (resid 96 and name HB2) 3.15 1.35 1.35 ! 0.0000 993:20 Intra 3.97, 4.03 A assign (resid 45 and name HZ3) (resid 37 and name HB2) 3.65 1.85 1.85 ! 0.9601 994:20 Long 3.65, 4.13 A assign (resid 45 and name HZ3) (resid 37 and name HB1) 3.65 1.85 1.85 ! 0.8044 995:20 Ambig 3.82, 4.50 A or (resid 37 and name HZ3) (resid 37 and name HB1) ! 0.1956 995:20 ----- 4.84, 4.93 A assign (resid 96 and name HE3) (resid 96 and name HB1) 3.65 1.85 1.85 ! 0.0000 996:20 Intra 2.45, 2.49 A assign (resid 96 and name HZ2) (resid 94 and name HB2) 4.15 2.35 2.35 ! 0.9537 998:20 Mid 2.84, 3.18 A assign (resid 75 and name HN) (resid 73 and name HB) 4.15 2.35 2.35 ! 0.0000 999:20 Mid 3.66, 4.73 A assign (resid 127 and name HD1) (resid 125 and name HB) 4.15 2.35 2.35 ! 0.0000 1000:20 Mid 4.64, 5.39 A assign (resid 130 and name HE*) (resid 112 and name HB2) 3.65 1.85 1.85 ! 0.9982 1002:20 Long 2.32, 5.33 A assign (resid 112 and name HN) (resid 94 and name HB1) 3.65 1.85 1.85 ! 0.5625 1003:20 Ambig 3.48, 3.82 A or (resid 96 and name HZ2) (resid 94 and name HB1) ! 0.2632 1003:20 ----- 3.95, 4.59 A or (resid 127 and name HZ3) (resid 94 and name HB1) ! 0.1744 1003:20 ----- 4.23, 4.57 A assign (resid 41 and name HE21) (resid 41 and name HG*) 3.65 1.85 1.85 ! 0.0000 1005:20 Intra 2.18, 2.90 A assign (resid 42 and name HD*) (resid 41 and name HG*) 4.15 2.35 2.35 ! 0.0000 1006:20 Seq 3.52, 6.71 A assign (resid 41 and name HE22) (resid 41 and name HG*) 3.15 1.35 1.35 ! 0.6913 1007:20 Ambig 3.46, 3.78 A or (resid 42 and name HE*) (resid 41 and name HG*) ! 0.3087 1007:20 ----- 3.96, 7.06 A assign (resid 130 and name HE*) (resid 112 and name HB1) 3.65 1.85 1.85 ! 0.9872 1008:20 Long 2.68, 4.28 A assign (resid 45 and name HA) (resid 44 and name HB) 3.65 1.85 1.85 ! 0.0000 1009:20 Seq 4.54, 4.72 A assign (resid 108 and name HD*) (resid 96 and name HB2) 3.15 1.35 1.35 ! 0.0000 1010:20 Long 2.72, 4.83 A assign (resid 89 and name HA) (resid 89 and name HB2) 3.15 1.35 1.35 ! 0.8360 1011:20 Ambig 2.49, 2.94 A or (resid 46 and name HA) (resid 89 and name HB2) ! 0.1640 1011:20 ----- 3.27, 4.67 A assign (resid 108 and name HD*) (resid 96 and name HB1) 3.65 1.85 1.85 ! 0.0000 1012:20 Long 2.31, 4.08 A assign (resid 89 and name HA) (resid 89 and name HB1) 3.15 1.35 1.35 ! 0.6482 1013:20 Ambig 2.34, 2.43 A or (resid 46 and name HA) (resid 89 and name HB1) ! 0.3518 1013:20 ----- 2.60, 3.82 A assign (resid 94 and name HD2) (resid 94 and name HB2) 3.15 1.35 1.35 ! 0.0000 1014:20 Intra 3.85, 3.92 A assign (resid 94 and name HD2) (resid 94 and name HB1) 3.65 1.85 1.85 ! 0.0000 1015:20 Intra 2.76, 2.92 A assign (resid 82 and name HA) (resid 82 and name HB) 3.15 1.35 1.35 ! 0.9985 1016:20 Intra 2.45, 3.00 A assign (resid 96 and name HA) (resid 96 and name HB2) 3.15 1.35 1.35 ! 0.8795 1017:20 Ambig 3.02, 3.02 A or (resid 97 and name HA) (resid 96 and name HB2) ! 0.0767 1017:20 ----- 4.53, 4.70 A assign (resid 96 and name HA) (resid 96 and name HB1) 3.15 1.35 1.35 ! 0.8937 1018:20 Ambig 2.42, 2.46 A or (resid 108 and name HA) (resid 96 and name HB1) ! 0.0703 1018:20 ----- 3.70, 3.87 A assign (resid 87 and name HA) (resid 48 and name HB2) 4.15 2.35 2.35 ! 0.0000 1019:20 Long 4.67, 5.21 A assign (resid 59 and name HA) (resid 59 and name HB1) 2.65 0.85 0.85 ! 0.6286 1020:20 Ambig 2.27, 2.30 A or (resid 58 and name HA) (resid 58 and name HG*) ! 0.3532 1020:20 ----- 2.49, 3.60 A assign (resid 52 and name HA) (resid 84 and name HB) 3.65 1.85 1.85 ! 0.7890 1021:20 Ambig 3.27, 3.71 A or (resid 87 and name HA) (resid 48 and name HB1) ! 0.2005 1021:20 ----- 4.11, 4.47 A assign (resid 59 and name HA) (resid 59 and name HB2) 2.65 0.85 0.85 ! 0.9574 1022:20 Intra 2.90, 2.96 A assign (resid 59 and name HA) (resid 78 and name HB1) 3.65 1.85 1.85 ! 0.5436 1023:20 Ambig 4.84, 5.33 A or (resid 77 and name HA) (resid 78 and name HB1) ! 0.4564 1023:20 ----- 4.98, 5.06 A assign (resid 53 and name HA) (resid 54 and name HB) 3.65 1.85 1.85 ! 0.0000 1024:20 Seq 4.53, 4.64 A assign (resid 27 and name HA) (resid 27 and name HB) 3.15 1.35 1.35 ! 0.9566 1027:20 Intra 2.41, 2.83 A assign (resid 37 and name HA) (resid 37 and name HB2) 3.15 1.35 1.35 ! 0.8857 1030:20 Ambig 3.00, 3.02 A or (resid 118 and name HA) (resid 37 and name HB2) ! 0.1143 1030:20 ----- 4.23, 5.11 A assign (resid 37 and name HA) (resid 37 and name HB1) 3.15 1.35 1.35 ! 0.9835 1031:20 Intra 2.38, 2.48 A assign (resid 34 and name HA) (resid 37 and name HB2) 4.15 2.35 2.35 ! 0.9661 1032:20 Mid 2.38, 4.15 A assign (resid 78 and name HA) (resid 78 and name HB2) 2.65 0.85 0.85 ! 0.8963 1034:20 Ambig 2.71, 2.74 A or (resid 78 and name HD1) (resid 78 and name HB2) ! 0.1037 1034:20 ----- 3.89, 3.93 A assign (resid 32 and name HA) (resid 28 and name HB2) 2.65 0.85 0.85 ! 0.7540 1035:20 Ambig 2.19, 5.80 A or (resid 32 and name HA) (resid 32 and name HB2) ! 0.2460 1035:20 ----- 2.64, 2.85 A assign (resid 72 and name HA) (resid 72 and name HB2) 2.65 0.85 0.85 ! 0.9891 1036:20 Intra 2.98, 2.99 A assign (resid 91 and name HA) (resid 91 and name HB2) 3.15 1.35 1.35 ! 0.0000 1039:20 Intra 2.44, 2.48 A assign (resid 78 and name HA) (resid 59 and name HB1) 3.15 1.35 1.35 ! 0.0000 1040:20 Long 2.33, 2.67 A assign (resid 30 and name HA) (resid 33 and name HB) 2.65 0.85 0.85 ! 0.5118 1041:20 Ambig 2.14, 7.40 A or (resid 33 and name HA) (resid 33 and name HB) ! 0.2506 1041:20 ----- 2.41, 2.59 A or (resid 73 and name HA) (resid 73 and name HB) ! 0.2282 1041:20 ----- 2.45, 2.59 A assign (resid 17 and name HA) (resid 17 and name HB) 3.15 1.35 1.35 ! 0.5070 1042:20 Ambig 2.38, 2.70 A or (resid 16 and name HA) (resid 16 and name HB) ! 0.4661 1042:20 ----- 2.42, 2.69 A assign (resid 123 and name HA) (resid 123 and name HB2) 2.65 0.85 0.85 ! 0.9498 1044:20 Intra 2.67, 2.76 A assign (resid 32 and name HA) (resid 28 and name HB1) 2.65 0.85 0.85 ! 0.4925 1045:20 Ambig 2.01, 6.02 A or (resid 123 and name HA) (resid 123 and name HB1) ! 0.2566 1045:20 ----- 2.24, 2.29 A or (resid 32 and name HA) (resid 32 and name HB1) ! 0.2452 1045:20 ----- 2.26, 2.30 A assign (resid 126 and name HA) (resid 112 and name HB2) 3.15 1.35 1.35 ! 0.9884 1046:20 Long 2.01, 2.34 A assign (resid 61 and name HA) (resid 61 and name HB) 3.65 1.85 1.85 ! 0.0000 1050:20 Intra 2.41, 2.46 A assign (resid 60 and name HA) (resid 61 and name HB) 3.65 1.85 1.85 ! 0.4057 1051:20 Ambig 4.45, 4.84 A or (resid 73 and name HA) (resid 61 and name HB) ! 0.2847 1051:20 ----- 4.72, 6.47 A or (resid 74 and name HA2) (resid 61 and name HB) ! 0.1798 1051:20 ----- 5.09, 6.93 A or (resid 75 and name HA2) (resid 61 and name HB) ! 0.0770 1051:20 ----- 5.87, 7.20 A assign (resid 115 and name HA) (resid 115 and name HB1) 2.65 0.85 0.85 ! 0.0000 1052:20 Intra 2.39, 2.70 A assign (resid 84 and name HA) (resid 84 and name HB) 2.65 0.85 0.85 ! 0.5105 1053:20 Ambig 2.44, 2.47 A or (resid 115 and name HA) (resid 115 and name HB2) ! 0.4895 1053:20 ----- 2.46, 2.80 A assign (resid 78 and name HA) (resid 78 and name HB1) 2.65 0.85 0.85 ! 0.4683 1054:20 Ambig 2.26, 2.29 A or (resid 9 and name HA) (resid 9 and name HB*) ! 0.3775 1054:20 ----- 2.35, 2.70 A or (resid 78 and name HD1) (resid 78 and name HB1) ! 0.0996 1054:20 ----- 2.93, 3.07 A assign (resid 78 and name HA) (resid 59 and name HB2) 3.15 1.35 1.35 ! 0.5578 1055:20 Ambig 4.05, 4.39 A or (resid 60 and name HA) (resid 59 and name HB2) ! 0.3441 1055:20 ----- 4.39, 4.50 A assign (resid 42 and name HA) (resid 41 and name HG*) 4.15 2.35 2.35 ! 0.0000 1057:20 Seq 3.42, 5.78 A assign (resid 41 and name HA) (resid 41 and name HG*) 3.15 1.35 1.35 ! 0.0000 1058:20 Intra 2.42, 3.04 A assign (resid 54 and name HA) (resid 54 and name HB) 3.15 1.35 1.35 ! 0.9243 1060:20 Intra 3.03, 3.04 A assign (resid 91 and name HA) (resid 91 and name HB1) 3.15 1.35 1.35 ! 0.0000 1061:20 Intra 3.04, 3.05 A assign (resid 117 and name HA) (resid 117 and name HB) 3.15 1.35 1.35 ! 0.9724 1062:20 Intra 2.51, 2.64 A assign (resid 126 and name HA) (resid 112 and name HB1) 3.15 1.35 1.35 ! 0.9969 1063:20 Long 1.85, 2.26 A assign (resid 28 and name HD2) (resid 27 and name HB) 3.65 1.85 1.85 ! 0.9256 1070:20 Seq 2.14, 4.36 A assign (resid 96 and name HB2) (resid 89 and name HB2) 3.15 1.35 1.35 ! 0.9856 1078:20 Long 1.93, 2.50 A assign (resid 96 and name HB2) (resid 89 and name HB1) 3.65 1.85 1.85 ! 0.9920 1083:20 Long 3.16, 3.74 A assign (resid 78 and name HD2) (resid 78 and name HB2) 3.15 1.35 1.35 ! 0.0000 1084:20 Intra 3.30, 3.98 A assign (resid 72 and name HD1) (resid 72 and name HB2) 2.65 0.85 0.85 ! 0.5117 1085:20 Ambig 3.82, 3.83 A or (resid 48 and name HD1) (resid 48 and name HB2) ! 0.4751 1085:20 ----- 3.86, 3.93 A assign (resid 32 and name HD2) (resid 28 and name HB2) 3.15 1.35 1.35 ! 0.3678 1086:20 Ambig 2.81, 4.52 A or (resid 32 and name HD2) (resid 32 and name HB2) ! 0.3272 1086:20 ----- 2.86, 3.35 A or (resid 28 and name HD2) (resid 28 and name HB2) ! 0.3050 1086:20 ----- 2.90, 3.65 A assign (resid 32 and name HD1) (resid 28 and name HB2) 3.15 1.35 1.35 ! 0.8782 1087:20 Ambig 2.45, 3.94 A or (resid 28 and name HD1) (resid 28 and name HB2) ! 0.0617 1087:20 ----- 3.82, 3.98 A assign (resid 72 and name HD2) (resid 72 and name HB2) 3.15 1.35 1.35 ! 0.5026 1088:20 Ambig 2.85, 2.90 A or (resid 48 and name HD2) (resid 48 and name HB2) ! 0.4622 1088:20 ----- 2.89, 3.41 A assign (resid 56 and name HA1) (resid 58 and name HG*) 3.15 1.35 1.35 ! 0.4095 1089:20 Ambig 3.41, 6.73 A or (resid 59 and name HD2) (resid 58 and name HG*) ! 0.2428 1089:20 ----- 3.72, 5.03 A or (resid 127 and name HB2) (resid 58 and name HG*) ! 0.2105 1089:20 ----- 3.81, 5.80 A or (resid 59 and name HD1) (resid 58 and name HG*) ! 0.1372 1089:20 ----- 4.09, 5.22 A assign (resid 123 and name HD1) (resid 123 and name HB2) 3.15 1.35 1.35 ! 0.0000 1090:20 Intra 3.92, 4.01 A assign (resid 123 and name HD2) (resid 123 and name HB2) 3.65 1.85 1.85 ! 0.0000 1091:20 Intra 3.00, 3.57 A assign (resid 112 and name HD2) (resid 123 and name HB2) 3.65 1.85 1.85 ! 0.9967 1092:20 Long 2.63, 3.68 A assign (resid 32 and name HD2) (resid 28 and name HB1) 2.65 0.85 0.85 ! 0.9551 1093:20 Mid 2.02, 5.09 A assign (resid 32 and name HD1) (resid 32 and name HB1) 3.15 1.35 1.35 ! 0.3902 1094:20 Ambig 2.89, 3.68 A or (resid 28 and name HD1) (resid 28 and name HB1) ! 0.3543 1094:20 ----- 2.94, 3.45 A or (resid 32 and name HD1) (resid 28 and name HB1) ! 0.2555 1094:20 ----- 3.10, 4.43 A assign (resid 112 and name HD2) (resid 112 and name HB2) 3.65 1.85 1.85 ! 0.0000 1095:20 Intra 2.36, 2.61 A assign (resid 112 and name HA) (resid 112 and name HB2) 3.15 1.35 1.35 ! 0.0000 1096:20 Intra 2.37, 2.43 A assign (resid 125 and name HA) (resid 125 and name HB) 3.15 1.35 1.35 ! 0.0000 1097:20 Intra 3.03, 3.03 A assign (resid 10 and name HA*) (resid 9 and name HB*) 4.15 2.35 2.35 ! 0.6651 1098:20 Ambig 3.79, 5.29 A or (resid 20 and name HA*) (resid 21 and name HB*) ! 0.3349 1098:20 ----- 4.25, 5.59 A assign (resid 59 and name HD2) (resid 59 and name HB2) 3.15 1.35 1.35 ! 0.8469 1099:20 Ambig 2.88, 2.94 A or (resid 59 and name HD1) (resid 59 and name HB2) ! 0.1531 1099:20 ----- 3.83, 3.88 A assign (resid 78 and name HD2) (resid 78 and name HB1) 3.15 1.35 1.35 ! 0.0000 1100:20 Intra 3.85, 3.89 A assign (resid 128 and name HA*) (resid 54 and name HB) 4.15 2.35 2.35 ! 0.5076 1102:20 Ambig 4.72, 5.24 A or (resid 82 and name HB) (resid 54 and name HB) ! 0.3281 1102:20 ----- 5.08, 7.12 A or (resid 80 and name HA*) (resid 54 and name HB) ! 0.1642 1102:20 ----- 5.70, 7.27 A assign (resid 112 and name HD2) (resid 112 and name HB1) 3.65 1.85 1.85 ! 0.0000 1104:20 Intra 2.47, 3.05 A assign (resid 112 and name HA) (resid 112 and name HB1) 3.15 1.35 1.35 ! 0.0000 1105:20 Intra 2.44, 2.57 A assign (resid 46 and name HB1) (resid 44 and name HB) 3.65 1.85 1.85 ! 0.3831 1106:20 Ambig 3.88, 4.28 A or (resid 89 and name HB2) (resid 44 and name HB) ! 0.3373 1106:20 ----- 3.97, 5.25 A or (resid 42 and name HB1) (resid 44 and name HB) ! 0.2521 1106:20 ----- 4.17, 4.72 A assign (resid 89 and name HB1) (resid 96 and name HB1) 4.15 2.35 2.35 ! 0.8424 1112:20 Ambig 4.52, 5.23 A or (resid 63 and name HG2) (resid 96 and name HB1) ! 0.1576 1112:20 ----- 5.98, 6.58 A assign (resid 57 and name HB*) (resid 58 and name HG*) 3.65 1.85 1.85 ! 0.0000 1119:20 Seq 2.55, 5.28 A assign (resid 19 and name HB*) (resid 21 and name HB*) 3.65 1.85 1.85 ! 0.8535 1121:20 Ambig 3.11, 6.01 A or (resid 8 and name HB*) (resid 9 and name HB*) ! 0.1465 1121:20 ----- 4.18, 6.40 A assign (resid 112 and name HD1) (resid 123 and name HB1) 4.15 2.35 2.35 ! 0.0000 1125:20 Long 3.00, 4.33 A assign (resid 115 and name HG2) (resid 115 and name HB1) 2.30 0.50 0.50 ! 0.5308 1130:20 Ambig 2.36, 2.55 A or (resid 115 and name HG1) (resid 115 and name HB1) ! 0.4612 1130:20 ----- 2.41, 2.77 A assign (resid 115 and name HG2) (resid 115 and name HB2) 3.15 1.35 1.35 ! 0.9950 1131:20 Intra 2.43, 2.77 A assign (resid 112 and name HD1) (resid 112 and name HB1) 3.65 1.85 1.85 ! 0.0000 1143:20 Intra 2.25, 2.53 A assign (resid 48 and name HG*) (resid 48 and name HB2) 2.30 0.50 0.50 ! 0.5258 1158:20 Ambig 2.28, 2.58 A or (resid 72 and name HG*) (resid 72 and name HB2) ! 0.4662 1158:20 ----- 2.33, 2.67 A assign (resid 64 and name HB) (resid 72 and name HB2) 2.65 0.85 0.85 ! 0.0000 1161:20 Long 2.00, 2.35 A assign (resid 91 and name HG2) (resid 91 and name HB2) 3.15 1.35 1.35 ! 0.9986 1164:20 Intra 2.36, 2.41 A assign (resid 58 and name HB2) (resid 58 and name HG*) 2.30 0.50 0.50 ! 0.9947 1165:20 Intra 2.35, 2.69 A assign (resid 123 and name HG*) (resid 123 and name HB2) 2.65 0.85 0.85 ! 0.9737 1168:20 Intra 2.27, 2.56 A assign (resid 122 and name HB) (resid 115 and name HB1) 3.65 1.85 1.85 ! 0.0000 1171:20 Long 2.04, 3.45 A assign (resid 115 and name HG1) (resid 115 and name HB2) 3.15 1.35 1.35 ! 0.9929 1173:20 Intra 2.34, 2.57 A assign (resid 59 and name HG*) (resid 59 and name HB2) 2.30 0.50 0.50 ! 0.9752 1178:20 Intra 2.30, 2.65 A assign (resid 41 and name HB1) (resid 41 and name HG*) 2.30 0.50 0.50 ! 0.0000 1179:20 Intra 2.36, 2.67 A assign (resid 41 and name HB2) (resid 41 and name HG*) 2.30 0.50 0.50 ! 0.0000 1180:20 Intra 2.35, 2.68 A assign (resid 118 and name HD1) (resid 117 and name HB) 3.65 1.85 1.85 ! 0.0000 1190:20 Seq 3.55, 4.09 A assign (resid 30 and name HG2*) (resid 30 and name HB) 2.30 0.50 0.50 ! 0.0000 1200:20 Intra 2.44, 2.66 A assign (resid 44 and name HG2*) (resid 44 and name HB) 3.15 1.35 1.35 ! 0.9984 1201:20 Intra 2.42, 2.64 A assign (resid 82 and name HG2*) (resid 82 and name HB) 2.65 0.85 0.85 ! 0.9727 1202:20 Intra 2.44, 2.65 A assign (resid 118 and name HB1) (resid 37 and name HB1) 4.15 2.35 2.35 ! 0.9843 1204:20 Long 2.71, 3.32 A assign (resid 95 and name HG12) (resid 89 and name HB2) 4.15 2.35 2.35 ! 0.5277 1205:20 Ambig 5.27, 5.86 A or (resid 90 and name HB) (resid 89 and name HB2) ! 0.4723 1205:20 ----- 5.37, 6.24 A assign (resid 44 and name HG2*) (resid 89 and name HB2) 3.15 1.35 1.35 ! 0.9966 1206:20 Long 1.90, 3.56 A assign (resid 67 and name HG1) (resid 89 and name HB2) 3.65 1.85 1.85 ! 0.0000 1207:20 Long 2.87, 3.78 A assign (resid 90 and name HB) (resid 89 and name HB1) 4.15 2.35 2.35 ! 0.7679 1208:20 Ambig 5.25, 5.71 A or (resid 95 and name HG12) (resid 89 and name HB1) ! 0.2321 1208:20 ----- 6.41, 6.80 A assign (resid 44 and name HG2*) (resid 89 and name HB1) 3.15 1.35 1.35 ! 0.9980 1209:20 Long 1.97, 2.63 A assign (resid 67 and name HG1) (resid 89 and name HB1) 4.15 2.35 2.35 ! 0.0000 1210:20 Long 2.88, 3.80 A assign (resid 81 and name HB*) (resid 78 and name HB2) 3.15 1.35 1.35 ! 0.9914 1211:20 Mid 3.05, 4.66 A assign (resid 64 and name HG11) (resid 72 and name HB2) 3.65 1.85 1.85 ! 0.8486 1213:20 Ambig 3.81, 4.28 A or (resid 73 and name HG2*) (resid 72 and name HB2) ! 0.0801 1213:20 ----- 5.65, 6.91 A assign (resid 64 and name HG2*) (resid 72 and name HB2) 3.15 1.35 1.35 ! 0.6037 1214:20 Ambig 3.44, 4.61 A or (resid 64 and name HD1*) (resid 72 and name HB2) ! 0.3963 1214:20 ----- 3.69, 4.86 A assign (resid 110 and name HB2) (resid 94 and name HB2) 3.65 1.85 1.85 ! 0.8568 1215:20 Ambig 3.65, 4.02 A or (resid 91 and name HG1) (resid 94 and name HB2) ! 0.1432 1215:20 ----- 4.92, 5.44 A assign (resid 44 and name HG2*) (resid 91 and name HB2) 2.65 0.85 0.85 ! 0.9056 1216:20 Long 2.05, 3.19 A assign (resid 67 and name HG1) (resid 91 and name HB2) 3.65 1.85 1.85 ! 0.0000 1217:20 Long 3.93, 4.73 A assign (resid 73 and name HG1*) (resid 73 and name HB) 2.30 0.50 0.50 ! 0.3583 1218:20 Ambig 2.37, 2.62 A or (resid 61 and name HG2*) (resid 73 and name HB) ! 0.3259 1218:20 ----- 2.41, 4.97 A or (resid 73 and name HG2*) (resid 73 and name HB) ! 0.3159 1218:20 ----- 2.42, 2.64 A assign (resid 16 and name HG1*) (resid 16 and name HB) 2.65 0.85 0.85 ! 0.4310 1219:20 Ambig 2.36, 2.63 A or (resid 16 and name HG2*) (resid 16 and name HB) ! 0.3648 1219:20 ----- 2.43, 2.64 A or (resid 17 and name HG2*) (resid 16 and name HB) ! 0.1677 1219:20 ----- 2.76, 6.39 A assign (resid 17 and name HG1*) (resid 17 and name HB) 2.65 0.85 0.85 ! 0.5247 1220:20 Ambig 2.37, 2.63 A or (resid 17 and name HG2*) (resid 17 and name HB) ! 0.4753 1220:20 ----- 2.41, 2.64 A assign (resid 125 and name HG1*) (resid 125 and name HB) 2.65 0.85 0.85 ! 0.5030 1222:20 Ambig 2.42, 2.64 A or (resid 125 and name HG2*) (resid 125 and name HB) ! 0.4970 1222:20 ----- 2.42, 2.64 A assign (resid 61 and name HG1*) (resid 61 and name HB) 2.30 0.50 0.50 ! 0.4336 1223:20 Ambig 2.37, 2.62 A or (resid 61 and name HG2*) (resid 61 and name HB) ! 0.4280 1223:20 ----- 2.37, 2.62 A or (resid 73 and name HG2*) (resid 61 and name HB) ! 0.0968 1223:20 ----- 3.04, 6.80 A assign (resid 84 and name HG1*) (resid 84 and name HB) 2.30 0.50 0.50 ! 0.5122 1224:20 Ambig 2.39, 2.62 A or (resid 84 and name HG2*) (resid 84 and name HB) ! 0.4852 1224:20 ----- 2.41, 2.63 A assign (resid 122 and name HD1*) (resid 115 and name HB1) 3.65 1.85 1.85 ! 0.9100 1227:20 Long 2.47, 5.25 A assign (resid 21 and name HG*) (resid 21 and name HB*) 2.65 0.85 0.85 ! 0.9820 1228:20 Intra 2.27, 2.67 A assign (resid 4 and name HG*) (resid 4 and name HB*) 3.15 1.35 1.35 ! 0.9641 1230:20 Intra 2.29, 2.68 A assign (resid 79 and name HB*) (resid 78 and name HB1) 3.65 1.85 1.85 ! 0.0000 1231:20 Seq 5.34, 6.24 A assign (resid 82 and name HG2*) (resid 54 and name HB) 3.65 1.85 1.85 ! 0.6915 1235:20 Ambig 4.51, 6.07 A or (resid 52 and name HG2*) (resid 54 and name HB) ! 0.3085 1235:20 ----- 5.16, 6.42 A assign (resid 91 and name HG1) (resid 91 and name HB1) 2.65 0.85 0.85 ! 0.9098 1236:20 Intra 2.40, 2.44 A assign (resid 117 and name HG1*) (resid 117 and name HB) 2.65 0.85 0.85 ! 0.9957 1238:20 Intra 2.41, 2.63 A assign (resid 117 and name HG2*) (resid 117 and name HB) 2.65 0.85 0.85 ! 0.0000 1239:20 Intra 2.42, 2.64 A assign (resid 95 and name HG2*) (resid 112 and name HB1) 4.15 2.35 2.35 ! 0.9834 1240:20 Long 2.09, 4.58 A assign (resid 118 and name HG2) (resid 37 and name HB2) 3.65 1.85 1.85 ! 0.0000 1244:20 Long 3.14, 4.04 A assign (resid 111 and name HG2*) (resid 112 and name HB2) 4.15 2.35 2.35 ! 0.0000 1245:20 Seq 3.26, 5.64 A assign (resid 83 and name HG2*) (resid 84 and name HB) 4.15 2.35 2.35 ! 0.0000 1246:20 Seq 5.19, 6.05 A assign (resid 54 and name HG1*) (resid 54 and name HB) 2.30 0.50 0.50 ! 0.0000 1247:20 Intra 2.41, 2.63 A assign (resid 111 and name HG2*) (resid 112 and name HB1) 3.65 1.85 1.85 ! 0.0000 1249:20 Seq 2.86, 4.61 A assign (resid 67 and name HB*) (resid 89 and name HB2) 3.65 1.85 1.85 ! 0.0000 1251:20 Long 3.35, 4.27 A assign (resid 67 and name HB*) (resid 96 and name HB1) 4.15 2.35 2.35 ! 0.0000 1252:20 Long 2.85, 3.75 A assign (resid 67 and name HB*) (resid 89 and name HB1) 4.15 2.35 2.35 ! 0.0000 1253:20 Long 3.85, 4.61 A assign (resid 67 and name HB*) (resid 91 and name HB2) 3.65 1.85 1.85 ! 0.0000 1254:20 Long 2.15, 3.20 A assign (resid 67 and name HB*) (resid 91 and name HB1) 3.65 1.85 1.85 ! 0.0000 1255:20 Long 2.74, 3.77 A assign (resid 118 and name HG1) (resid 117 and name HB) 4.15 2.35 2.35 ! 0.8306 1256:20 Ambig 4.98, 5.77 A or (resid 90 and name HD1*) (resid 117 and name HB) ! 0.1694 1256:20 ----- 6.50, 7.70 A assign (resid 46 and name HN) (resid 45 and name HB1) 3.65 1.85 1.85 ! 0.0000 1257:20 Seq 2.96, 3.19 A assign (resid 96 and name HN) (resid 95 and name HG12) 3.65 1.85 1.85 ! 0.0000 1258:20 Seq 2.54, 2.96 A assign (resid 96 and name HN) (resid 95 and name HG11) 3.65 1.85 1.85 ! 0.0000 1259:20 Seq 2.74, 2.97 A assign (resid 45 and name HE1) (resid 39 and name HD2) 4.15 2.35 2.35 ! 0.0000 1260:20 Long 2.86, 3.98 A assign (resid 45 and name HE1) (resid 39 and name HD1) 4.15 2.35 2.35 ! 0.0000 1261:20 Long 2.41, 4.60 A assign (resid 109 and name HN) (resid 109 and name HB2) 3.15 1.35 1.35 ! 0.0000 1262:20 Intra 2.82, 2.92 A assign (resid 90 and name HN) (resid 45 and name HB1) 4.15 2.35 2.35 ! 0.0000 1263:20 Long 4.11, 4.42 A assign (resid 90 and name HN) (resid 45 and name HB2) 3.65 1.85 1.85 ! 0.0000 1264:20 Long 2.88, 3.36 A assign (resid 109 and name HN) (resid 109 and name HB1) 3.15 1.35 1.35 ! 0.0000 1265:20 Intra 2.54, 2.58 A assign (resid 131 and name HN) (resid 131 and name HD*) 3.65 1.85 1.85 ! 0.0000 1266:20 Intra 3.99, 4.97 A assign (resid 97 and name HN) (resid 109 and name HB2) 3.65 1.85 1.85 ! 0.6788 1267:20 Ambig 4.69, 4.80 A or (resid 108 and name HN) (resid 109 and name HB2) ! 0.3212 1267:20 ----- 5.32, 5.46 A assign (resid 97 and name HN) (resid 109 and name HB1) 3.65 1.85 1.85 ! 0.9778 1268:20 Long 3.32, 3.43 A assign (resid 122 and name HN) (resid 121 and name HB2) 3.15 1.35 1.35 ! 0.0000 1269:20 Seq 2.86, 3.34 A assign (resid 121 and name HN) (resid 121 and name HB2) 3.65 1.85 1.85 ! 0.8215 1270:20 Ambig 3.70, 3.74 A or (resid 116 and name HN) (resid 121 and name HB2) ! 0.1479 1270:20 ----- 4.92, 6.64 A assign (resid 106 and name HN) (resid 106 and name HB2) 3.15 1.35 1.35 ! 0.9728 1271:20 Intra 2.38, 2.60 A assign (resid 122 and name HN) (resid 121 and name HB1) 3.15 1.35 1.35 ! 0.0000 1272:20 Seq 3.94, 4.19 A assign (resid 106 and name HN) (resid 106 and name HB1) 2.65 0.85 0.85 ! 0.9720 1273:20 Intra 2.30, 2.51 A assign (resid 31 and name HN) (resid 31 and name HB2) 3.65 1.85 1.85 ! 0.0000 1274:20 Intra 2.32, 2.94 A assign (resid 31 and name HN) (resid 31 and name HB1) 3.65 1.85 1.85 ! 0.0000 1275:20 Intra 2.43, 3.34 A assign (resid 38 and name HN) (resid 38 and name HD*) 3.65 1.85 1.85 ! 0.0000 1276:20 Intra 2.70, 4.82 A assign (resid 111 and name HN) (resid 110 and name HB2) 3.65 1.85 1.85 ! 0.9653 1277:20 Seq 3.38, 3.61 A assign (resid 111 and name HN) (resid 110 and name HB1) 3.65 1.85 1.85 ! 0.8831 1278:20 Ambig 4.14, 4.28 A or (resid 94 and name HN) (resid 110 and name HB1) ! 0.0791 1278:20 ----- 6.18, 6.58 A assign (resid 45 and name HN) (resid 45 and name HB1) 3.65 1.85 1.85 ! 0.0000 1279:20 Intra 3.58, 3.63 A assign (resid 45 and name HN) (resid 45 and name HB2) 3.15 1.35 1.35 ! 0.0000 1280:20 Intra 2.35, 2.41 A assign (resid 45 and name HD1) (resid 45 and name HB2) 3.15 1.35 1.35 ! 0.6712 1281:20 Ambig 2.66, 2.73 A or (resid 37 and name HE3) (resid 45 and name HB2) ! 0.3208 1281:20 ----- 3.01, 3.48 A assign (resid 95 and name HN) (resid 114 and name HB2) 3.65 1.85 1.85 ! 0.0000 1282:20 Long 2.73, 3.04 A assign (resid 95 and name HN) (resid 114 and name HB1) 3.65 1.85 1.85 ! 0.0000 1283:20 Long 2.53, 4.19 A assign (resid 114 and name HN) (resid 114 and name HB2) 3.15 1.35 1.35 ! 0.9294 1284:20 Intra 2.50, 2.99 A assign (resid 115 and name HN) (resid 114 and name HB1) 3.15 1.35 1.35 ! 0.6226 1285:20 Ambig 2.67, 3.45 A or (resid 114 and name HN) (resid 114 and name HB1) ! 0.3774 1285:20 ----- 2.90, 3.59 A assign (resid 58 and name HN) (resid 58 and name HB2) 3.65 1.85 1.85 ! 0.0000 1286:20 Intra 2.56, 3.44 A assign (resid 58 and name HN) (resid 58 and name HB1) 3.65 1.85 1.85 ! 0.0000 1288:20 Intra 3.24, 3.54 A assign (resid 11 and name HN) (resid 9 and name HD*) 4.15 2.35 2.35 ! 0.9501 1289:20 Mid 2.05, 6.85 A assign (resid 95 and name HN) (resid 95 and name HG12) 3.65 1.85 1.85 ! 0.0000 1290:20 Intra 4.29, 4.42 A assign (resid 95 and name HN) (resid 95 and name HG11) 3.65 1.85 1.85 ! 0.0000 1291:20 Intra 4.58, 4.61 A assign (resid 45 and name HZ2) (resid 39 and name HD2) 4.15 2.35 2.35 ! 0.9545 1292:20 Long 2.61, 3.67 A assign (resid 45 and name HZ2) (resid 39 and name HD1) 4.15 2.35 2.35 ! 0.8624 1293:20 Ambig 2.65, 4.04 A or (resid 45 and name HD1) (resid 39 and name HD1) ! 0.1376 1293:20 ----- 3.60, 6.03 A assign (resid 37 and name HD1) (resid 118 and name HB1) 3.15 1.35 1.35 ! 0.8597 1294:20 Ambig 2.52, 3.20 A or (resid 37 and name HE3) (resid 118 and name HB1) ! 0.0968 1294:20 ----- 3.62, 4.39 A assign (resid 37 and name HZ2) (resid 47 and name HD2) 3.65 1.85 1.85 ! 0.7799 1295:20 Ambig 3.05, 4.62 A or (resid 37 and name HD1) (resid 47 and name HD2) ! 0.1214 1295:20 ----- 4.16, 5.45 A assign (resid 37 and name HD1) (resid 118 and name HB2) 3.15 1.35 1.35 ! 0.8028 1296:20 Ambig 2.94, 4.17 A or (resid 45 and name HD1) (resid 118 and name HB2) ! 0.1021 1296:20 ----- 4.15, 5.70 A assign (resid 37 and name HZ2) (resid 47 and name HD1) 3.65 1.85 1.85 ! 0.7564 1297:20 Ambig 2.90, 3.52 A or (resid 37 and name HD1) (resid 47 and name HD1) ! 0.1330 1297:20 ----- 3.88, 4.70 A or (resid 37 and name HE3) (resid 47 and name HD1) ! 0.0963 1297:20 ----- 4.09, 4.91 A assign (resid 99 and name HE*) (resid 109 and name HB2) 3.15 1.35 1.35 ! 0.0000 1298:20 Long 1.91, 3.92 A assign (resid 99 and name HE*) (resid 109 and name HB1) 3.15 1.35 1.35 ! 0.0000 1299:20 Long 2.47, 4.84 A assign (resid 108 and name HE*) (resid 106 and name HB1) 4.15 2.35 2.35 ! 0.0000 1300:20 Mid 3.03, 5.42 A assign (resid 46 and name HE*) (resid 38 and name HD*) 4.15 2.35 2.35 ! 0.0000 1301:20 Long 2.53, 5.28 A assign (resid 127 and name HZ3) (resid 110 and name HB2) 3.15 1.35 1.35 ! 0.9678 1302:20 Long 2.00, 2.39 A assign (resid 127 and name HH2) (resid 110 and name HB2) 3.65 1.85 1.85 ! 0.0000 1303:20 Long 3.13, 3.88 A assign (resid 96 and name HZ3) (resid 110 and name HB1) 3.65 1.85 1.85 ! 0.6013 1304:20 Ambig 2.87, 3.28 A or (resid 96 and name HZ2) (resid 110 and name HB1) ! 0.2434 1304:20 ----- 3.33, 3.71 A or (resid 127 and name HZ3) (resid 110 and name HB1) ! 0.1384 1304:20 ----- 3.66, 4.10 A assign (resid 45 and name HA) (resid 45 and name HB1) 3.15 1.35 1.35 ! 0.0000 1305:20 Intra 2.45, 2.51 A assign (resid 45 and name HA) (resid 45 and name HB2) 3.65 1.85 1.85 ! 0.0000 1306:20 Intra 3.00, 3.02 A assign (resid 121 and name HD2) (resid 121 and name HB2) 3.65 1.85 1.85 ! 0.0000 1307:20 Intra 2.73, 2.81 A assign (resid 121 and name HD2) (resid 121 and name HB1) 3.65 1.85 1.85 ! 0.0000 1308:20 Intra 3.82, 3.89 A assign (resid 94 and name HD2) (resid 110 and name HB2) 3.65 1.85 1.85 ! 0.0000 1309:20 Long 2.70, 3.43 A assign (resid 94 and name HD2) (resid 110 and name HB1) 3.65 1.85 1.85 ! 0.0000 1310:20 Long 4.15, 4.73 A assign (resid 109 and name HA) (resid 109 and name HB2) 3.15 1.35 1.35 ! 0.9638 1311:20 Intra 2.45, 2.48 A assign (resid 109 and name HA) (resid 109 and name HB1) 3.15 1.35 1.35 ! 0.8390 1312:20 Ambig 3.03, 3.04 A or (resid 108 and name HA) (resid 109 and name HB1) ! 0.0765 1312:20 ----- 4.52, 4.59 A assign (resid 58 and name HA) (resid 58 and name HB2) 3.15 1.35 1.35 ! 0.9863 1313:20 Intra 2.37, 2.69 A assign (resid 58 and name HA) (resid 58 and name HB1) 3.15 1.35 1.35 ! 0.9893 1314:20 Intra 2.25, 2.42 A assign (resid 95 and name HA) (resid 95 and name HG12) 3.65 1.85 1.85 ! 0.8337 1315:20 Ambig 3.10, 3.17 A or (resid 90 and name HA) (resid 95 and name HG12) ! 0.1663 1315:20 ----- 4.06, 4.59 A assign (resid 95 and name HA) (resid 95 and name HG11) 3.65 1.85 1.85 ! 0.5327 1316:20 Ambig 2.45, 2.54 A or (resid 90 and name HA) (resid 95 and name HG11) ! 0.4673 1316:20 ----- 2.51, 3.27 A assign (resid 96 and name HA) (resid 110 and name HB2) 4.15 2.35 2.35 ! 0.5598 1317:20 Ambig 5.31, 5.50 A or (resid 109 and name HA) (resid 110 and name HB2) ! 0.4402 1317:20 ----- 5.53, 5.56 A assign (resid 109 and name HA) (resid 110 and name HB1) 3.65 1.85 1.85 ! 0.4902 1319:20 Ambig 4.76, 4.85 A or (resid 96 and name HA) (resid 110 and name HB1) ! 0.4408 1319:20 ----- 4.84, 5.09 A assign (resid 114 and name HA) (resid 114 and name HB2) 3.15 1.35 1.35 ! 0.7365 1321:20 Ambig 2.46, 2.87 A or (resid 123 and name HA) (resid 114 and name HB2) ! 0.2603 1321:20 ----- 2.93, 4.27 A assign (resid 113 and name HA) (resid 114 and name HB2) 4.15 2.35 2.35 ! 0.0000 1322:20 Seq 4.15, 4.45 A assign (resid 121 and name HA) (resid 121 and name HB2) 3.15 1.35 1.35 ! 0.9971 1324:20 Intra 2.46, 2.50 A assign (resid 65 and name HA2) (resid 106 and name HB2) 3.65 1.85 1.85 ! 0.0000 1326:20 Long 3.67, 4.34 A assign (resid 106 and name HA) (resid 106 and name HB1) 2.65 0.85 0.85 ! 0.0000 1327:20 Intra 3.01, 3.03 A assign (resid 121 and name HA) (resid 121 and name HB1) 3.15 1.35 1.35 ! 0.9850 1328:20 Intra 2.38, 2.42 A assign (resid 116 and name HA2) (resid 121 and name HB1) 4.15 2.35 2.35 ! 0.8259 1329:20 Ambig 3.87, 6.50 A or (resid 117 and name HA) (resid 121 and name HB1) ! 0.1741 1329:20 ----- 5.02, 6.24 A assign (resid 31 and name HA) (resid 31 and name HB2) 3.15 1.35 1.35 ! 0.0000 1330:20 Intra 2.39, 2.77 A assign (resid 31 and name HA) (resid 31 and name HB1) 3.65 1.85 1.85 ! 0.0000 1331:20 Intra 2.33, 2.66 A assign (resid 38 and name HA) (resid 38 and name HD*) 3.65 1.85 1.85 ! 0.9920 1332:20 Intra 2.11, 4.29 A assign (resid 38 and name HA) (resid 38 and name HD*) 3.65 1.85 1.85 ! 0.9920 1333:20 Intra 2.11, 4.29 A assign (resid 131 and name HA) (resid 131 and name HD*) 3.65 1.85 1.85 ! 0.0000 1334:20 Intra 2.09, 3.86 A assign (resid 110 and name HA) (resid 110 and name HB2) 3.15 1.35 1.35 ! 0.8793 1336:20 Ambig 2.69, 2.71 A or (resid 110 and name HD1) (resid 110 and name HB2) ! 0.1025 1336:20 ----- 3.84, 3.92 A assign (resid 39 and name HA) (resid 39 and name HD1) 3.65 1.85 1.85 ! 0.0000 1338:20 Intra 4.25, 4.58 A assign (resid 43 and name HA1) (resid 39 and name HD2) 4.15 2.35 2.35 ! 0.0000 1339:20 Mid 3.51, 5.46 A assign (resid 118 and name HA) (resid 118 and name HB1) 3.15 1.35 1.35 ! 0.9889 1341:20 Intra 2.29, 2.32 A assign (resid 37 and name HA) (resid 47 and name HD2) 4.15 2.35 2.35 ! 0.0000 1343:20 Long 4.11, 5.06 A assign (resid 118 and name HA) (resid 118 and name HB2) 2.65 0.85 0.85 ! 0.9846 1344:20 Intra 2.78, 2.98 A assign (resid 37 and name HA) (resid 47 and name HD1) 4.15 2.35 2.35 ! 0.9750 1346:20 Long 3.61, 4.71 A assign (resid 110 and name HA) (resid 110 and name HB1) 3.15 1.35 1.35 ! 0.7811 1347:20 Ambig 2.26, 2.28 A or (resid 110 and name HD1) (resid 110 and name HB1) ! 0.2189 1347:20 ----- 2.80, 2.97 A assign (resid 59 and name HD2) (resid 58 and name HB2) 3.15 1.35 1.35 ! 0.8815 1349:20 Ambig 2.14, 3.41 A or (resid 59 and name HD1) (resid 58 and name HB2) ! 0.1185 1349:20 ----- 2.99, 3.92 A assign (resid 59 and name HD2) (resid 58 and name HB1) 3.15 1.35 1.35 ! 0.8033 1351:20 Ambig 2.59, 3.64 A or (resid 59 and name HD1) (resid 58 and name HB1) ! 0.1967 1351:20 ----- 3.27, 3.95 A assign (resid 32 and name HD1) (resid 31 and name HB1) 3.65 1.85 1.85 ! 0.9957 1352:20 Seq 1.91, 3.53 A assign (resid 65 and name HA1) (resid 106 and name HB1) 3.65 1.85 1.85 ! 0.0000 1353:20 Long 3.77, 4.28 A assign (resid 31 and name HD*) (resid 31 and name HB2) 3.15 1.35 1.35 ! 0.0000 1354:20 Intra 2.31, 3.28 A assign (resid 31 and name HD*) (resid 31 and name HB1) 3.65 1.85 1.85 ! 0.0000 1355:20 Intra 2.36, 3.04 A assign (resid 52 and name HB) (resid 131 and name HD*) 3.65 1.85 1.85 ! 0.0000 1356:20 Long 2.48, 4.50 A assign (resid 43 and name HA2) (resid 39 and name HD2) 3.65 1.85 1.85 ! 0.0000 1360:20 Mid 2.13, 3.92 A assign (resid 43 and name HA2) (resid 39 and name HD1) 3.65 1.85 1.85 ! 0.0000 1361:20 Mid 2.22, 4.34 A assign (resid 37 and name HB2) (resid 118 and name HB1) 3.65 1.85 1.85 ! 0.9934 1362:20 Long 2.06, 2.97 A assign (resid 36 and name HB*) (resid 47 and name HD2) 3.65 1.85 1.85 ! 0.9908 1364:20 Long 2.31, 4.03 A assign (resid 37 and name HB2) (resid 118 and name HB2) 3.65 1.85 1.85 ! 0.9123 1365:20 Long 2.88, 3.27 A assign (resid 110 and name HD2) (resid 110 and name HB1) 4.15 2.35 2.35 ! 0.0000 1367:20 Intra 3.80, 3.86 A assign (resid 106 and name HD1) (resid 106 and name HB2) 3.65 1.85 1.85 ! 0.0000 1376:20 Intra 2.27, 2.60 A assign (resid 106 and name HD1) (resid 106 and name HB1) 3.15 1.35 1.35 ! 0.0000 1377:20 Intra 3.53, 3.65 A assign (resid 106 and name HD2) (resid 106 and name HB1) 3.65 1.85 1.85 ! 0.9442 1378:20 Intra 3.71, 3.95 A assign (resid 131 and name HE*) (resid 131 and name HD*) 2.65 0.85 0.85 ! 0.0000 1379:20 Intra 2.34, 2.68 A assign (resid 4 and name HE*) (resid 4 and name HD*) 3.15 1.35 1.35 ! 0.0000 1381:20 Intra 2.35, 2.66 A assign (resid 114 and name HB2) (resid 95 and name HG12) 3.65 1.85 1.85 ! 0.5807 1386:20 Ambig 4.92, 5.31 A or (resid 114 and name HB1) (resid 95 and name HG12) ! 0.4193 1386:20 ----- 5.20, 5.99 A assign (resid 114 and name HB2) (resid 95 and name HG11) 3.65 1.85 1.85 ! 0.5736 1387:20 Ambig 4.36, 4.78 A or (resid 114 and name HB1) (resid 95 and name HG11) ! 0.3832 1387:20 ----- 4.66, 5.18 A assign (resid 39 and name HE2) (resid 39 and name HD1) 3.15 1.35 1.35 ! 0.5529 1388:20 Ambig 2.39, 2.47 A or (resid 39 and name HE1) (resid 39 and name HD1) ! 0.4471 1388:20 ----- 2.48, 2.96 A assign (resid 39 and name HE1) (resid 39 and name HD2) 3.15 1.35 1.35 ! 0.5423 1389:20 Ambig 2.39, 2.47 A or (resid 39 and name HE2) (resid 39 and name HD2) ! 0.4577 1389:20 ----- 2.46, 2.96 A assign (resid 37 and name HB1) (resid 118 and name HB1) 3.65 1.85 1.85 ! 0.8037 1390:20 Ambig 2.71, 3.32 A or (resid 45 and name HB1) (resid 118 and name HB1) ! 0.1963 1390:20 ----- 3.43, 3.92 A assign (resid 37 and name HB1) (resid 118 and name HB2) 3.65 1.85 1.85 ! 0.6521 1391:20 Ambig 3.10, 3.85 A or (resid 45 and name HB1) (resid 118 and name HB2) ! 0.3479 1391:20 ----- 3.45, 4.11 A assign (resid 83 and name HB) (resid 109 and name HB2) 4.15 2.35 2.35 ! 0.0000 1392:20 Long 5.83, 6.14 A assign (resid 112 and name HG2) (resid 114 and name HB2) 4.15 2.35 2.35 ! 0.0000 1396:20 Mid 3.41, 4.80 A assign (resid 58 and name HG*) (resid 58 and name HB2) 2.65 0.85 0.85 ! 0.9945 1398:20 Intra 2.35, 2.69 A assign (resid 58 and name HG*) (resid 58 and name HB1) 2.65 0.85 0.85 ! 0.9955 1404:20 Intra 2.33, 2.61 A assign (resid 110 and name HG2) (resid 110 and name HB2) 3.15 1.35 1.35 ! 0.9990 1418:20 Intra 2.31, 2.33 A assign (resid 118 and name HD1) (resid 118 and name HB1) 3.65 1.85 1.85 ! 0.8424 1425:20 Ambig 2.95, 3.99 A or (resid 119 and name HB1) (resid 118 and name HB1) ! 0.1420 1425:20 ----- 3.98, 4.31 A assign (resid 47 and name HE*) (resid 47 and name HD2) 3.15 1.35 1.35 ! 0.9843 1428:20 Intra 2.37, 2.71 A assign (resid 88 and name HB) (resid 47 and name HD2) 3.65 1.85 1.85 ! 0.7460 1429:20 Ambig 2.40, 4.74 A or (resid 49 and name HB*) (resid 47 and name HD2) ! 0.2530 1429:20 ----- 2.87, 4.60 A assign (resid 118 and name HD1) (resid 118 and name HB2) 3.65 1.85 1.85 ! 0.4914 1430:20 Ambig 3.79, 3.83 A or (resid 119 and name HB1) (resid 118 and name HB2) ! 0.2582 1430:20 ----- 4.22, 5.11 A or (resid 33 and name HB) (resid 118 and name HB2) ! 0.2504 1430:20 ----- 4.24, 7.85 A assign (resid 47 and name HE*) (resid 47 and name HD1) 3.15 1.35 1.35 ! 0.9783 1431:20 Intra 2.39, 2.63 A assign (resid 88 and name HB) (resid 47 and name HD1) 4.15 2.35 2.35 ! 0.0000 1432:20 Long 3.13, 4.43 A assign (resid 110 and name HG2) (resid 110 and name HB1) 3.15 1.35 1.35 ! 0.9634 1433:20 Intra 2.98, 2.99 A assign (resid 62 and name HG2*) (resid 109 and name HB2) 3.15 1.35 1.35 ! 0.9922 1434:20 Long 2.08, 2.99 A assign (resid 77 and name HD2*) (resid 109 and name HB2) 3.15 1.35 1.35 ! 0.6975 1435:20 Ambig 2.95, 4.16 A or (resid 97 and name HG11) (resid 109 and name HB2) ! 0.2933 1435:20 ----- 3.41, 3.52 A assign (resid 90 and name HB) (resid 45 and name HB1) 3.15 1.35 1.35 ! 0.0000 1436:20 Long 3.69, 4.10 A assign (resid 90 and name HB) (resid 45 and name HB2) 3.15 1.35 1.35 ! 0.0000 1437:20 Long 2.06, 2.59 A assign (resid 118 and name HD2) (resid 45 and name HB1) 3.65 1.85 1.85 ! 0.7286 1438:20 Ambig 4.09, 4.66 A or (resid 44 and name HG2*) (resid 45 and name HB1) ! 0.1692 1438:20 ----- 5.22, 6.45 A or (resid 39 and name HD1) (resid 45 and name HB1) ! 0.1022 1438:20 ----- 5.68, 7.26 A assign (resid 39 and name HB2) (resid 45 and name HB1) 3.65 1.85 1.85 ! 0.5265 1439:20 Ambig 4.41, 4.99 A or (resid 90 and name HG11) (resid 45 and name HB1) ! 0.3127 1439:20 ----- 4.81, 5.24 A or (resid 90 and name HG2*) (resid 45 and name HB1) ! 0.1607 1439:20 ----- 5.37, 6.42 A assign (resid 90 and name HG11) (resid 45 and name HB2) 3.65 1.85 1.85 ! 0.4684 1440:20 Ambig 3.78, 4.32 A or (resid 90 and name HG2*) (resid 45 and name HB2) ! 0.3941 1440:20 ----- 3.89, 4.83 A or (resid 39 and name HB2) (resid 45 and name HB2) ! 0.0913 1440:20 ----- 4.96, 5.79 A assign (resid 107 and name HG1*) (resid 109 and name HB2) 3.65 1.85 1.85 ! 0.7515 1441:20 Ambig 3.77, 4.92 A or (resid 83 and name HG11) (resid 109 and name HB2) ! 0.1438 1441:20 ----- 4.96, 5.58 A or (resid 107 and name HB) (resid 109 and name HB2) ! 0.1047 1441:20 ----- 5.23, 5.51 A assign (resid 62 and name HG2*) (resid 109 and name HB1) 3.15 1.35 1.35 ! 0.9062 1445:20 Long 3.69, 4.54 A assign (resid 97 and name HG11) (resid 109 and name HB1) 3.15 1.35 1.35 ! 0.9357 1446:20 Long 2.41, 2.50 A assign (resid 107 and name HG1*) (resid 109 and name HB1) 3.65 1.85 1.85 ! 0.5175 1447:20 Ambig 5.17, 6.39 A or (resid 83 and name HG11) (resid 109 and name HB1) ! 0.3409 1447:20 ----- 5.55, 6.21 A or (resid 107 and name HB) (resid 109 and name HB1) ! 0.1416 1447:20 ----- 6.42, 6.70 A assign (resid 112 and name HG1) (resid 114 and name HB2) 3.65 1.85 1.85 ! 0.8925 1450:20 Ambig 2.48, 4.24 A or (resid 112 and name HB1) (resid 114 and name HB2) ! 0.0886 1450:20 ----- 3.65, 6.41 A assign (resid 95 and name HG11) (resid 114 and name HB2) 3.65 1.85 1.85 ! 0.0000 1451:20 Long 4.36, 4.78 A assign (resid 95 and name HG2*) (resid 114 and name HB2) 2.65 0.85 0.85 ! 0.8717 1452:20 Ambig 2.23, 3.68 A or (resid 90 and name HG2*) (resid 114 and name HB2) ! 0.0918 1452:20 ----- 3.25, 5.29 A assign (resid 106 and name HG1) (resid 106 and name HB2) 3.15 1.35 1.35 ! 0.0000 1457:20 Intra 3.00, 3.01 A assign (resid 95 and name HD1*) (resid 121 and name HB1) 4.15 2.35 2.35 ! 0.6020 1460:20 Ambig 3.14, 5.46 A or (resid 90 and name HG2*) (resid 121 and name HB1) ! 0.3179 1460:20 ----- 3.49, 5.31 A assign (resid 131 and name HG*) (resid 131 and name HD*) 2.65 0.85 0.85 ! 0.0000 1461:20 Intra 2.37, 2.70 A assign (resid 38 and name HB1) (resid 38 and name HD*) 3.65 1.85 1.85 ! 0.0000 1462:20 Intra 2.33, 3.03 A assign (resid 129 and name HG1*) (resid 131 and name HD*) 4.15 2.35 2.35 ! 0.0000 1463:20 Mid 2.98, 5.68 A assign (resid 54 and name HG2*) (resid 131 and name HD*) 3.65 1.85 1.85 ! 0.0000 1464:20 Long 2.60, 4.90 A assign (resid 4 and name HG*) (resid 4 and name HD*) 2.30 0.50 0.50 ! 0.0000 1465:20 Intra 2.38, 2.70 A assign (resid 39 and name HG2) (resid 39 and name HD2) 2.65 0.85 0.85 ! 0.0000 1475:20 Intra 2.44, 2.77 A assign (resid 39 and name HG2) (resid 39 and name HD1) 2.65 0.85 0.85 ! 0.5128 1476:20 Ambig 2.36, 2.63 A or (resid 39 and name HB2) (resid 39 and name HD1) ! 0.4872 1476:20 ----- 2.38, 2.93 A assign (resid 118 and name HD2) (resid 118 and name HB1) 3.65 1.85 1.85 ! 0.0000 1478:20 Intra 3.87, 3.90 A assign (resid 34 and name HG2*) (resid 118 and name HB2) 2.65 0.85 0.85 ! 0.8704 1491:20 Ambig 2.08, 4.73 A or (resid 118 and name HD2) (resid 118 and name HB2) ! 0.1296 1491:20 ----- 2.85, 2.99 A assign (resid 47 and name HB2) (resid 47 and name HD1) 3.15 1.35 1.35 ! 0.9887 1495:20 Intra 2.36, 3.09 A assign (resid 110 and name HG1) (resid 110 and name HB1) 3.15 1.35 1.35 ! 0.9958 1497:20 Intra 2.32, 2.33 A assign (resid 97 and name HD1*) (resid 109 and name HB2) 3.15 1.35 1.35 ! 0.8598 1499:20 Ambig 3.31, 4.47 A or (resid 83 and name HG2*) (resid 109 and name HB2) ! 0.1129 1499:20 ----- 4.64, 6.35 A assign (resid 97 and name HG2*) (resid 109 and name HB2) 4.15 2.35 2.35 ! 0.0000 1500:20 Long 6.13, 6.69 A assign (resid 111 and name HG1*) (resid 109 and name HB2) 3.65 1.85 1.85 ! 0.0000 1501:20 Mid 3.85, 4.60 A assign (resid 118 and name HG2) (resid 45 and name HB1) 3.65 1.85 1.85 ! 0.9919 1502:20 Long 2.15, 2.64 A assign (resid 118 and name HG2) (resid 45 and name HB2) 4.15 2.35 2.35 ! 0.9960 1503:20 Long 1.94, 2.65 A assign (resid 97 and name HD1*) (resid 109 and name HB1) 3.65 1.85 1.85 ! 0.9647 1504:20 Long 2.29, 3.35 A assign (resid 111 and name HG1*) (resid 109 and name HB1) 3.65 1.85 1.85 ! 0.0000 1505:20 Mid 2.27, 3.12 A assign (resid 111 and name HG2*) (resid 95 and name HG12) 4.15 2.35 2.35 ! 0.0000 1508:20 Long 3.53, 4.21 A assign (resid 111 and name HG2*) (resid 95 and name HG11) 4.15 2.35 2.35 ! 0.0000 1509:20 Long 5.25, 5.76 A assign (resid 39 and name HG1) (resid 39 and name HD2) 3.15 1.35 1.35 ! 0.9972 1511:20 Intra 2.35, 2.49 A assign (resid 39 and name HG1) (resid 39 and name HD1) 3.65 1.85 1.85 ! 0.9951 1512:20 Intra 2.44, 2.78 A assign (resid 118 and name HG2) (resid 118 and name HB1) 2.65 0.85 0.85 ! 0.9885 1515:20 Intra 2.60, 2.65 A assign (resid 47 and name HG1) (resid 47 and name HD2) 3.15 1.35 1.35 ! 0.0000 1516:20 Intra 2.42, 2.57 A assign (resid 118 and name HG2) (resid 118 and name HB2) 2.65 0.85 0.85 ! 0.9971 1520:20 Intra 2.31, 2.34 A assign (resid 47 and name HG1) (resid 47 and name HD1) 2.65 0.85 0.85 ! 0.0000 1521:20 Intra 2.44, 2.90 A assign (resid 118 and name HG1) (resid 45 and name HB1) 3.65 1.85 1.85 ! 0.9085 1523:20 Long 2.61, 3.38 A assign (resid 118 and name HG1) (resid 45 and name HB2) 3.65 1.85 1.85 ! 0.7826 1524:20 Ambig 2.55, 3.02 A or (resid 90 and name HD1*) (resid 45 and name HB2) ! 0.2149 1524:20 ----- 3.16, 4.92 A assign (resid 90 and name HD1*) (resid 121 and name HB2) 3.65 1.85 1.85 ! 0.9793 1525:20 Long 3.04, 4.10 A assign (resid 90 and name HD1*) (resid 121 and name HB1) 3.65 1.85 1.85 ! 0.9859 1526:20 Long 2.08, 3.08 A assign (resid 90 and name HD1*) (resid 95 and name HG12) 3.65 1.85 1.85 ! 0.0000 1527:20 Long 5.07, 6.16 A assign (resid 90 and name HD1*) (resid 95 and name HG11) 3.65 1.85 1.85 ! 0.9743 1528:20 Long 3.48, 4.53 A assign (resid 39 and name HB1) (resid 39 and name HD2) 3.15 1.35 1.35 ! 0.0000 1530:20 Intra 2.47, 3.25 A assign (resid 90 and name HD1*) (resid 118 and name HB1) 3.15 1.35 1.35 ! 0.5949 1531:20 Ambig 2.17, 4.75 A or (resid 118 and name HG1) (resid 118 and name HB1) ! 0.4051 1531:20 ----- 2.31, 2.33 A assign (resid 118 and name HG1) (resid 118 and name HB2) 3.15 1.35 1.35 ! 0.9048 1532:20 Intra 2.68, 2.99 A assign (resid 77 and name HN) (resid 61 and name HA) 3.65 1.85 1.85 ! 0.0000 1533:20 Long 2.80, 3.17 A assign (resid 77 and name HN) (resid 77 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1534:20 Intra 4.80, 5.30 A assign (resid 63 and name HN) (resid 63 and name HG2) 4.15 2.35 2.35 ! 0.9987 1535:20 Intra 2.47, 2.76 A assign (resid 63 and name HN) (resid 63 and name HG1) 4.15 2.35 2.35 ! 0.9826 1536:20 Intra 3.86, 4.08 A assign (resid 90 and name HN) (resid 90 and name HG12) 3.65 1.85 1.85 ! 0.0000 1537:20 Intra 3.75, 3.98 A assign (resid 83 and name HN) (resid 83 and name HG12) 3.65 1.85 1.85 ! 0.9642 1538:20 Intra 2.68, 2.91 A assign (resid 65 and name HN) (resid 64 and name HG12) 3.65 1.85 1.85 ! 0.7756 1539:20 Ambig 4.26, 4.58 A or (resid 63 and name HN) (resid 64 and name HG12) ! 0.2244 1539:20 ----- 5.24, 5.90 A assign (resid 65 and name HN) (resid 64 and name HG11) 3.65 1.85 1.85 ! 0.7619 1540:20 Ambig 3.97, 4.88 A or (resid 63 and name HN) (resid 64 and name HG11) ! 0.2381 1540:20 ----- 4.82, 5.20 A assign (resid 83 and name HN) (resid 83 and name HG11) 3.65 1.85 1.85 ! 0.9666 1541:20 Intra 4.03, 4.19 A assign (resid 61 and name HN) (resid 61 and name HA) 3.65 1.85 1.85 ! 0.0000 1542:20 Intra 2.82, 2.85 A assign (resid 127 and name HN) (resid 127 and name HB2) 3.15 1.35 1.35 ! 0.0000 1543:20 Intra 2.48, 2.55 A assign (resid 127 and name HN) (resid 127 and name HB1) 3.15 1.35 1.35 ! 0.0000 1544:20 Intra 3.64, 3.70 A assign (resid 69 and name HN) (resid 69 and name HG) 3.15 1.35 1.35 ! 0.0000 1545:20 Intra 2.31, 3.23 A assign (resid 79 and name HN) (resid 59 and name HG*) 3.15 1.35 1.35 ! 0.0000 1546:20 Long 2.30, 3.89 A assign (resid 31 and name HN) (resid 31 and name HG*) 3.65 1.85 1.85 ! 0.0000 1547:20 Intra 2.20, 3.82 A assign (resid 64 and name HN) (resid 64 and name HG12) 3.15 1.35 1.35 ! 0.8990 1548:20 Ambig 3.62, 3.87 A or (resid 74 and name HN) (resid 64 and name HG12) ! 0.0539 1548:20 ----- 5.79, 6.07 A assign (resid 64 and name HN) (resid 64 and name HG11) 3.15 1.35 1.35 ! 0.9724 1549:20 Intra 2.39, 2.84 A assign (resid 55 and name HN) (resid 77 and name HD2*) 4.15 2.35 2.35 ! 0.0000 1550:20 Long 3.88, 5.21 A assign (resid 122 and name HN) (resid 122 and name HG12) 3.65 1.85 1.85 ! 0.0000 1551:20 Intra 2.20, 3.18 A assign (resid 61 and name HN) (resid 60 and name HG11) 3.65 1.85 1.85 ! 0.0000 1552:20 Seq 5.08, 5.14 A assign (resid 122 and name HN) (resid 122 and name HG11) 3.65 1.85 1.85 ! 0.0000 1553:20 Intra 2.23, 2.89 A assign (resid 62 and name HN) (resid 61 and name HA) 2.65 0.85 0.85 ! 0.0000 1554:20 Seq 1.98, 2.11 A assign (resid 127 and name HE3) (resid 127 and name HB2) 3.65 1.85 1.85 ! 0.0000 1555:20 Intra 2.36, 2.42 A assign (resid 15 and name HN) (resid 14 and name HB*) 3.65 1.85 1.85 ! 0.8181 1556:20 Ambig 1.94, 3.78 A or (resid 15 and name HN) (resid 13 and name HB*) ! 0.0745 1556:20 ----- 2.89, 5.64 A or (resid 16 and name HN) (resid 14 and name HB*) ! 0.0556 1556:20 ----- 3.03, 5.30 A assign (resid 66 and name HN) (resid 66 and name HB2) 3.65 1.85 1.85 ! 0.0000 1558:20 Intra 2.80, 2.88 A assign (resid 127 and name HE3) (resid 127 and name HB1) 3.65 1.85 1.85 ! 0.0000 1559:20 Intra 3.66, 3.86 A assign (resid 66 and name HN) (resid 66 and name HB1) 3.65 1.85 1.85 ! 0.0000 1560:20 Intra 3.85, 3.91 A assign (resid 60 and name HN) (resid 60 and name HG12) 3.65 1.85 1.85 ! 0.0000 1562:20 Intra 3.71, 3.79 A assign (resid 42 and name HN) (resid 41 and name HB1) 3.65 1.85 1.85 ! 0.6563 1563:20 Ambig 2.90, 3.71 A or (resid 127 and name HE3) (resid 60 and name HG12) ! 0.2803 1563:20 ----- 3.35, 4.09 A assign (resid 60 and name HN) (resid 59 and name HG*) 3.65 1.85 1.85 ! 0.0000 1564:20 Seq 4.95, 5.37 A assign (resid 49 and name HN) (resid 48 and name HG*) 3.65 1.85 1.85 ! 0.0000 1565:20 Seq 4.64, 5.39 A assign (resid 76 and name HD21) (resid 78 and name HG1) 4.15 2.35 2.35 ! 0.8628 1566:20 Ambig 4.11, 5.62 A or (resid 81 and name HN) (resid 78 and name HG1) ! 0.1372 1566:20 ----- 5.58, 5.99 A assign (resid 70 and name HN) (resid 63 and name HG1) 4.15 2.35 2.35 ! 0.8681 1567:20 Ambig 5.30, 5.78 A or (resid 91 and name HE21) (resid 63 and name HG1) ! 0.1319 1567:20 ----- 7.25, 7.93 A assign (resid 84 and name HN) (resid 83 and name HG12) 3.65 1.85 1.85 ! 0.7264 1568:20 Ambig 4.93, 5.09 A or (resid 80 and name HN) (resid 77 and name HD2*) ! 0.1929 1568:20 ----- 6.15, 7.14 A assign (resid 81 and name HN) (resid 77 and name HD2*) 4.15 2.35 2.35 ! 0.0000 1569:20 Mid 5.17, 6.14 A assign (resid 60 and name HN) (resid 60 and name HG11) 3.65 1.85 1.85 ! 0.9848 1570:20 Intra 2.53, 2.64 A assign (resid 127 and name HE3) (resid 60 and name HG11) 4.15 2.35 2.35 ! 0.0000 1571:20 Long 4.67, 5.37 A assign (resid 84 and name HN) (resid 83 and name HG11) 4.15 2.35 2.35 ! 0.0000 1572:20 Seq 5.23, 5.36 A assign (resid 45 and name HD1) (resid 118 and name HG2) 3.65 1.85 1.85 ! 0.8546 1573:20 Ambig 2.44, 3.70 A or (resid 37 and name HE3) (resid 118 and name HG2) ! 0.1087 1573:20 ----- 3.44, 4.49 A assign (resid 45 and name HD1) (resid 118 and name HG1) 3.65 1.85 1.85 ! 0.4265 1574:20 Ambig 3.45, 4.54 A or (resid 37 and name HE3) (resid 118 and name HG1) ! 0.3859 1574:20 ----- 3.51, 4.25 A or (resid 37 and name HD1) (resid 118 and name HG1) ! 0.1059 1574:20 ----- 4.35, 5.23 A assign (resid 127 and name HD1) (resid 127 and name HB2) 3.65 1.85 1.85 ! 0.9073 1575:20 Intra 3.87, 3.89 A assign (resid 127 and name HZ3) (resid 127 and name HB2) 3.65 1.85 1.85 ! 0.8181 1577:20 Ambig 4.77, 4.83 A or (resid 130 and name HZ) (resid 127 and name HB2) ! 0.1819 1577:20 ----- 6.13, 6.75 A assign (resid 68 and name HE*) (resid 66 and name HB2) 3.15 1.35 1.35 ! 0.5761 1578:20 Ambig 2.40, 5.28 A or (resid 68 and name HD*) (resid 66 and name HB2) ! 0.4136 1578:20 ----- 2.54, 4.89 A assign (resid 108 and name HE*) (resid 66 and name HB2) 4.15 2.35 2.35 ! 0.5218 1579:20 Ambig 5.07, 7.35 A or (resid 68 and name HN) (resid 66 and name HB2) ! 0.4782 1579:20 ----- 5.15, 5.36 A assign (resid 127 and name HD1) (resid 127 and name HB1) 3.65 1.85 1.85 ! 0.0000 1580:20 Intra 2.78, 2.92 A assign (resid 68 and name HE*) (resid 66 and name HB1) 3.15 1.35 1.35 ! 0.6056 1582:20 Ambig 2.15, 4.18 A or (resid 68 and name HD*) (resid 66 and name HB1) ! 0.3185 1582:20 ----- 2.40, 4.46 A assign (resid 68 and name HN) (resid 66 and name HB1) 3.65 1.85 1.85 ! 0.7250 1583:20 Ambig 5.27, 5.39 A or (resid 91 and name HE22) (resid 66 and name HB1) ! 0.2750 1583:20 ----- 6.20, 6.67 A assign (resid 96 and name HZ3) (resid 63 and name HG2) 3.65 1.85 1.85 ! 0.0000 1584:20 Long 1.94, 2.08 A assign (resid 96 and name HH2) (resid 63 and name HG2) 3.65 1.85 1.85 ! 0.0000 1585:20 Long 2.45, 2.95 A assign (resid 96 and name HZ2) (resid 69 and name HG) 3.65 1.85 1.85 ! 0.0000 1586:20 Long 3.79, 4.50 A assign (resid 55 and name HD21) (resid 77 and name HG) 3.65 1.85 1.85 ! 0.9545 1588:20 Long 2.08, 2.67 A assign (resid 96 and name HZ3) (resid 63 and name HG1) 3.65 1.85 1.85 ! 0.0000 1589:20 Long 2.33, 2.85 A assign (resid 96 and name HH2) (resid 63 and name HG1) 3.65 1.85 1.85 ! 0.0000 1590:20 Long 2.26, 2.72 A assign (resid 37 and name HH2) (resid 90 and name HG12) 3.65 1.85 1.85 ! 0.6289 1591:20 Ambig 3.65, 3.85 A or (resid 37 and name HZ3) (resid 90 and name HG12) ! 0.3711 1591:20 ----- 3.98, 4.21 A assign (resid 55 and name HD22) (resid 77 and name HD2*) 3.65 1.85 1.85 ! 0.9278 1593:20 Long 3.54, 5.03 A assign (resid 37 and name HZ3) (resid 90 and name HG11) 3.65 1.85 1.85 ! 0.5488 1594:20 Ambig 2.32, 2.55 A or (resid 37 and name HH2) (resid 90 and name HG11) ! 0.4512 1594:20 ----- 2.39, 2.79 A assign (resid 55 and name HD21) (resid 60 and name HG11) 4.15 2.35 2.35 ! 0.9933 1595:20 Long 2.45, 3.43 A assign (resid 99 and name HE*) (resid 83 and name HG11) 4.15 2.35 2.35 ! 0.0000 1596:20 Long 3.98, 4.54 A assign (resid 121 and name HD2) (resid 123 and name HG*) 4.15 2.35 2.35 ! 0.0000 1599:20 Mid 2.22, 3.86 A assign (resid 76 and name HA) (resid 61 and name HA) 3.15 1.35 1.35 ! 0.9986 1600:20 Long 1.91, 2.28 A assign (resid 62 and name HA) (resid 61 and name HA) 4.15 2.35 2.35 ! 0.0000 1601:20 Seq 4.24, 4.29 A assign (resid 127 and name HA) (resid 127 and name HB2) 3.15 1.35 1.35 ! 0.0000 1602:20 Intra 3.02, 3.03 A assign (resid 127 and name HA) (resid 127 and name HB1) 3.15 1.35 1.35 ! 0.0000 1604:20 Intra 2.43, 2.46 A assign (resid 63 and name HA) (resid 63 and name HG2) 3.65 1.85 1.85 ! 0.8790 1605:20 Ambig 3.09, 3.17 A or (resid 109 and name HA) (resid 63 and name HG2) ! 0.1013 1605:20 ----- 4.43, 4.90 A assign (resid 59 and name HA) (resid 60 and name HG12) 4.15 2.35 2.35 ! 0.0000 1606:20 Seq 4.71, 4.92 A assign (resid 59 and name HA) (resid 59 and name HG*) 2.65 0.85 0.85 ! 0.0000 1607:20 Intra 2.94, 3.56 A assign (resid 77 and name HA) (resid 77 and name HG) 3.65 1.85 1.85 ! 0.9113 1608:20 Intra 3.05, 3.10 A assign (resid 63 and name HA) (resid 63 and name HG1) 3.65 1.85 1.85 ! 0.9121 1609:20 Intra 3.76, 3.80 A assign (resid 90 and name HA) (resid 90 and name HG12) 3.65 1.85 1.85 ! 0.5454 1610:20 Ambig 2.45, 2.53 A or (resid 95 and name HA) (resid 90 and name HG12) ! 0.4546 1610:20 ----- 2.53, 3.12 A assign (resid 63 and name HA) (resid 64 and name HG12) 4.15 2.35 2.35 ! 0.0000 1611:20 Seq 4.59, 4.87 A assign (resid 77 and name HA) (resid 77 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1612:20 Intra 4.45, 4.72 A assign (resid 90 and name HA) (resid 90 and name HG11) 3.65 1.85 1.85 ! 0.8278 1613:20 Ambig 2.99, 3.04 A or (resid 95 and name HA) (resid 90 and name HG11) ! 0.1722 1613:20 ----- 3.88, 4.32 A assign (resid 59 and name HA) (resid 60 and name HG11) 3.65 1.85 1.85 ! 0.0000 1614:20 Seq 3.37, 3.63 A assign (resid 111 and name HA) (resid 127 and name HB2) 3.15 1.35 1.35 ! 0.0000 1616:20 Long 3.24, 3.78 A assign (resid 13 and name HA) (resid 13 and name HB*) 2.30 0.50 0.50 ! 0.4062 1623:20 Ambig 2.22, 2.66 A or (resid 26 and name HA) (resid 26 and name HB*) ! 0.2873 1623:20 ----- 2.35, 2.69 A or (resid 24 and name HA) (resid 24 and name HB*) ! 0.2811 1623:20 ----- 2.36, 2.68 A assign (resid 15 and name HA) (resid 13 and name HB*) 3.15 1.35 1.35 ! 0.3553 1624:20 Ambig 3.50, 7.06 A or (resid 11 and name HA) (resid 12 and name HB*) ! 0.1676 1624:20 ----- 3.97, 5.37 A or (resid 15 and name HA) (resid 14 and name HB*) ! 0.1391 1624:20 ----- 4.09, 5.05 A or (resid 25 and name HA) (resid 24 and name HB*) ! 0.1291 1624:20 ----- 4.14, 5.13 A or (resid 22 and name HA) (resid 24 and name HB*) ! 0.1204 1624:20 ----- 4.19, 6.76 A assign (resid 66 and name HA) (resid 66 and name HB2) 3.15 1.35 1.35 ! 0.0000 1625:20 Intra 3.02, 3.03 A assign (resid 111 and name HA) (resid 127 and name HB1) 4.15 2.35 2.35 ! 0.0000 1626:20 Long 4.91, 5.48 A assign (resid 66 and name HA) (resid 66 and name HB1) 3.15 1.35 1.35 ! 0.0000 1629:20 Intra 2.40, 2.46 A assign (resid 73 and name HA) (resid 63 and name HG2) 4.15 2.35 2.35 ! 0.3583 1630:20 Ambig 4.59, 5.28 A or (resid 62 and name HB) (resid 63 and name HG2) ! 0.3433 1630:20 ----- 4.62, 4.96 A or (resid 69 and name HA) (resid 63 and name HG2) ! 0.2983 1630:20 ----- 4.73, 5.49 A assign (resid 41 and name HA) (resid 41 and name HB1) 2.65 0.85 0.85 ! 0.9052 1631:20 Intra 2.38, 2.66 A assign (resid 60 and name HA) (resid 60 and name HG12) 2.65 0.85 0.85 ! 0.7330 1634:20 Ambig 2.55, 2.62 A or (resid 69 and name HA) (resid 69 and name HG) ! 0.2621 1634:20 ----- 3.03, 3.46 A assign (resid 31 and name HA) (resid 28 and name HG*) 3.15 1.35 1.35 ! 0.3684 1636:20 Ambig 3.97, 7.83 A or (resid 27 and name HA) (resid 28 and name HG*) ! 0.3174 1636:20 ----- 4.07, 4.42 A or (resid 31 and name HA) (resid 32 and name HG*) ! 0.3142 1636:20 ----- 4.07, 5.34 A assign (resid 32 and name HA) (resid 32 and name HG*) 3.15 1.35 1.35 ! 0.6637 1637:20 Ambig 2.90, 3.74 A or (resid 32 and name HA) (resid 28 and name HG*) ! 0.2643 1637:20 ----- 3.38, 7.51 A assign (resid 78 and name HD1) (resid 78 and name HG2) 2.65 0.85 0.85 ! 0.5720 1638:20 Ambig 2.74, 2.97 A or (resid 29 and name HA) (resid 32 and name HG*) ! 0.2540 1638:20 ----- 3.14, 6.28 A or (resid 78 and name HA) (resid 78 and name HG2) ! 0.0762 1638:20 ----- 3.83, 3.88 A assign (resid 78 and name HD1) (resid 78 and name HG1) 2.65 0.85 0.85 ! 0.9294 1639:20 Intra 2.27, 2.30 A assign (resid 41 and name HA) (resid 41 and name HB2) 3.15 1.35 1.35 ! 0.9978 1640:20 Intra 2.41, 2.78 A assign (resid 123 and name HA) (resid 123 and name HG*) 3.65 1.85 1.85 ! 0.9402 1641:20 Intra 3.25, 3.87 A assign (resid 122 and name HA) (resid 123 and name HG*) 3.15 1.35 1.35 ! 0.0000 1642:20 Seq 3.98, 4.34 A assign (resid 31 and name HA) (resid 31 and name HG*) 3.65 1.85 1.85 ! 0.0000 1643:20 Intra 2.36, 3.13 A assign (resid 64 and name HA) (resid 64 and name HG11) 3.15 1.35 1.35 ! 0.0000 1644:20 Intra 2.42, 2.92 A assign (resid 83 and name HA) (resid 83 and name HG12) 3.65 1.85 1.85 ! 0.9539 1645:20 Intra 2.91, 3.09 A assign (resid 75 and name HA2) (resid 64 and name HG12) 3.65 1.85 1.85 ! 0.6118 1646:20 Ambig 4.04, 4.73 A or (resid 62 and name HB) (resid 64 and name HG12) ! 0.1762 1646:20 ----- 4.97, 5.70 A or (resid 73 and name HA) (resid 64 and name HG12) ! 0.1103 1646:20 ----- 5.37, 5.78 A or (resid 74 and name HA2) (resid 64 and name HG12) ! 0.0590 1646:20 ----- 5.96, 6.60 A assign (resid 73 and name HA) (resid 64 and name HG11) 3.65 1.85 1.85 ! 0.5886 1647:20 Ambig 3.63, 4.44 A or (resid 75 and name HA2) (resid 64 and name HG11) ! 0.2484 1647:20 ----- 4.20, 4.79 A or (resid 62 and name HB) (resid 64 and name HG11) ! 0.0794 1647:20 ----- 5.07, 5.42 A assign (resid 62 and name HB) (resid 77 and name HD2*) 3.15 1.35 1.35 ! 0.2539 1648:20 Ambig 5.05, 6.76 A or (resid 54 and name HA) (resid 77 and name HD2*) ! 0.2523 1648:20 ----- 5.05, 6.71 A or (resid 60 and name HA) (resid 77 and name HD2*) ! 0.1787 1648:20 ----- 5.35, 6.75 A or (resid 79 and name HA) (resid 77 and name HD2*) ! 0.1146 1648:20 ----- 5.77, 6.59 A or (resid 81 and name HA) (resid 77 and name HD2*) ! 0.0766 1648:20 ----- 6.16, 7.29 A or (resid 78 and name HD1) (resid 77 and name HD2*) ! 0.0720 1648:20 ----- 6.23, 6.79 A assign (resid 122 and name HA) (resid 122 and name HG12) 3.15 1.35 1.35 ! 0.0000 1649:20 Intra 2.54, 2.81 A assign (resid 60 and name HA) (resid 60 and name HG11) 3.15 1.35 1.35 ! 0.9152 1650:20 Intra 3.09, 3.12 A assign (resid 83 and name HA) (resid 83 and name HG11) 3.65 1.85 1.85 ! 0.0000 1651:20 Intra 3.69, 3.76 A assign (resid 44 and name HA) (resid 67 and name HG2) 4.15 2.35 2.35 ! 0.5013 1652:20 Ambig 4.48, 4.82 A or (resid 66 and name HA) (resid 67 and name HG2) ! 0.4987 1652:20 ----- 4.48, 4.54 A assign (resid 122 and name HA) (resid 122 and name HG11) 3.15 1.35 1.35 ! 0.0000 1653:20 Intra 3.05, 3.33 A assign (resid 118 and name HA) (resid 118 and name HG2) 3.65 1.85 1.85 ! 0.8827 1655:20 Ambig 3.76, 3.83 A or (resid 37 and name HA) (resid 118 and name HG2) ! 0.1173 1655:20 ----- 5.26, 6.00 A assign (resid 117 and name HA) (resid 118 and name HG2) 3.65 1.85 1.85 ! 0.8329 1656:20 Ambig 4.31, 4.41 A or (resid 44 and name HA) (resid 118 and name HG2) ! 0.1671 1656:20 ----- 5.63, 6.77 A assign (resid 118 and name HA) (resid 118 and name HG1) 3.65 1.85 1.85 ! 0.9819 1657:20 Intra 2.70, 2.87 A assign (resid 117 and name HA) (resid 118 and name HG1) 3.65 1.85 1.85 ! 0.8545 1658:20 Ambig 4.15, 4.25 A or (resid 116 and name HA2) (resid 118 and name HG1) ! 0.0940 1658:20 ----- 6.00, 7.74 A assign (resid 63 and name HD2) (resid 63 and name HG2) 3.65 1.85 1.85 ! 0.0000 1663:20 Intra 2.51, 2.90 A assign (resid 48 and name HD1) (resid 48 and name HG*) 2.30 0.50 0.50 ! 0.5069 1664:20 Ambig 2.28, 2.54 A or (resid 72 and name HD1) (resid 72 and name HG*) ! 0.4883 1664:20 ----- 2.29, 2.50 A assign (resid 28 and name HD2) (resid 28 and name HG*) 2.30 0.50 0.50 ! 0.3126 1665:20 Ambig 2.26, 2.57 A or (resid 32 and name HD2) (resid 32 and name HG*) ! 0.3036 1665:20 ----- 2.27, 2.61 A or (resid 59 and name HD2) (resid 59 and name HG*) ! 0.2758 1665:20 ----- 2.30, 2.66 A or (resid 28 and name HD2) (resid 32 and name HG*) ! 0.0905 1665:20 ----- 2.77, 7.35 A assign (resid 48 and name HD2) (resid 48 and name HG*) 2.65 0.85 0.85 ! 0.4879 1666:20 Ambig 2.28, 2.60 A or (resid 72 and name HD2) (resid 72 and name HG*) ! 0.4630 1666:20 ----- 2.29, 2.65 A assign (resid 123 and name HD2) (resid 123 and name HG*) 3.15 1.35 1.35 ! 0.0000 1668:20 Intra 2.25, 2.59 A assign (resid 31 and name HD*) (resid 31 and name HG*) 2.65 0.85 0.85 ! 0.0000 1669:20 Intra 2.27, 2.66 A assign (resid 63 and name HD2) (resid 63 and name HG1) 3.15 1.35 1.35 ! 0.6805 1670:20 Ambig 2.24, 2.40 A or (resid 63 and name HD1) (resid 63 and name HG1) ! 0.3195 1670:20 ----- 2.54, 2.92 A assign (resid 74 and name HA1) (resid 64 and name HG12) 4.15 2.35 2.35 ! 0.0000 1671:20 Long 4.37, 5.39 A assign (resid 74 and name HA1) (resid 64 and name HG11) 4.15 2.35 2.35 ! 0.0000 1672:20 Long 4.16, 4.85 A assign (resid 78 and name HD2) (resid 77 and name HD2*) 4.15 2.35 2.35 ! 0.0000 1673:20 Seq 5.19, 5.53 A assign (resid 123 and name HD1) (resid 122 and name HG12) 4.15 2.35 2.35 ! 0.0000 1674:20 Seq 4.32, 4.75 A assign (resid 37 and name HB2) (resid 118 and name HG2) 3.65 1.85 1.85 ! 0.9569 1675:20 Long 3.14, 4.04 A assign (resid 37 and name HB2) (resid 118 and name HG1) 4.15 2.35 2.35 ! 0.9862 1676:20 Long 3.22, 4.54 A assign (resid 67 and name HD2) (resid 66 and name HB2) 3.15 1.35 1.35 ! 0.9203 1679:20 Seq 4.21, 4.47 A assign (resid 67 and name HD2) (resid 66 and name HB1) 3.15 1.35 1.35 ! 0.9951 1680:20 Seq 2.76, 3.07 A assign (resid 48 and name HB2) (resid 48 and name HG*) 2.30 0.50 0.50 ! 0.5291 1681:20 Ambig 2.28, 2.58 A or (resid 72 and name HB2) (resid 72 and name HG*) ! 0.4692 1681:20 ----- 2.33, 2.67 A assign (resid 55 and name HB1) (resid 78 and name HG2) 4.15 2.35 2.35 ! 0.0000 1684:20 Long 5.51, 5.76 A assign (resid 78 and name HB2) (resid 78 and name HG2) 2.30 0.50 0.50 ! 0.2843 1685:20 Ambig 2.24, 2.30 A or (resid 32 and name HB2) (resid 32 and name HG*) ! 0.2636 1685:20 ----- 2.27, 2.59 A or (resid 28 and name HB2) (resid 28 and name HG*) ! 0.2593 1685:20 ----- 2.28, 2.55 A or (resid 28 and name HB2) (resid 32 and name HG*) ! 0.1848 1685:20 ----- 2.41, 4.65 A assign (resid 55 and name HB1) (resid 77 and name HG) 3.65 1.85 1.85 ! 0.9920 1687:20 Long 3.03, 3.58 A assign (resid 105 and name HB1) (resid 64 and name HG12) 3.65 1.85 1.85 ! 0.6526 1690:20 Ambig 4.12, 5.26 A or (resid 72 and name HB2) (resid 64 and name HG12) ! 0.3269 1690:20 ----- 4.62, 5.09 A assign (resid 55 and name HB2) (resid 77 and name HD2*) 4.15 2.35 2.35 ! 0.0000 1691:20 Long 2.34, 3.25 A assign (resid 55 and name HB1) (resid 77 and name HD2*) 3.65 1.85 1.85 ! 0.6632 1692:20 Ambig 3.40, 4.60 A or (resid 109 and name HB1) (resid 77 and name HD2*) ! 0.3368 1692:20 ----- 3.81, 4.74 A assign (resid 89 and name HB2) (resid 67 and name HG2) 3.65 1.85 1.85 ! 0.5565 1693:20 Ambig 3.24, 4.34 A or (resid 42 and name HB1) (resid 67 and name HG2) ! 0.3244 1693:20 ----- 3.55, 4.63 A or (resid 40 and name HB1) (resid 67 and name HG2) ! 0.0734 1693:20 ----- 4.55, 5.51 A assign (resid 89 and name HB2) (resid 67 and name HG1) 4.15 2.35 2.35 ! 0.9274 1694:20 Long 2.87, 3.78 A assign (resid 67 and name HD2) (resid 67 and name HG2) 3.15 1.35 1.35 ! 0.9893 1695:20 Intra 2.24, 2.27 A assign (resid 67 and name HD2) (resid 67 and name HG1) 3.15 1.35 1.35 ! 0.8378 1697:20 Ambig 2.85, 2.93 A or (resid 96 and name HB1) (resid 67 and name HG1) ! 0.0901 1697:20 ----- 4.14, 4.60 A assign (resid 91 and name HB2) (resid 67 and name HG1) 3.65 1.85 1.85 ! 0.8778 1698:20 Ambig 3.93, 4.73 A or (resid 87 and name HG2) (resid 67 and name HG1) ! 0.0942 1698:20 ----- 5.70, 6.31 A assign (resid 45 and name HB1) (resid 118 and name HG2) 3.65 1.85 1.85 ! 0.8316 1700:20 Ambig 2.15, 2.64 A or (resid 37 and name HB1) (resid 118 and name HG2) ! 0.1684 1700:20 ----- 2.80, 3.62 A assign (resid 45 and name HB2) (resid 118 and name HG2) 3.65 1.85 1.85 ! 0.0000 1701:20 Long 1.94, 2.65 A assign (resid 45 and name HB1) (resid 118 and name HG1) 3.65 1.85 1.85 ! 0.6691 1702:20 Ambig 2.61, 3.38 A or (resid 37 and name HB1) (resid 118 and name HG1) ! 0.3309 1702:20 ----- 2.94, 4.07 A assign (resid 61 and name HB) (resid 61 and name HA) 3.65 1.85 1.85 ! 0.9845 1704:20 Intra 2.41, 2.46 A assign (resid 67 and name HD1) (resid 66 and name HB2) 3.65 1.85 1.85 ! 0.9570 1709:20 Seq 4.41, 4.60 A assign (resid 67 and name HD1) (resid 66 and name HB1) 3.15 1.35 1.35 ! 0.9844 1712:20 Seq 3.27, 3.63 A assign (resid 63 and name HB*) (resid 63 and name HG2) 3.15 1.35 1.35 ! 0.9777 1715:20 Intra 2.38, 2.73 A assign (resid 71 and name HB*) (resid 63 and name HG2) 3.65 1.85 1.85 ! 0.9859 1717:20 Long 3.59, 4.64 A assign (resid 41 and name HG*) (resid 41 and name HB1) 2.65 0.85 0.85 ! 0.0000 1719:20 Intra 2.36, 2.67 A assign (resid 59 and name HB2) (resid 59 and name HG*) 2.30 0.50 0.50 ! 0.0000 1721:20 Intra 2.30, 2.65 A assign (resid 81 and name HB*) (resid 78 and name HG2) 3.15 1.35 1.35 ! 0.9642 1722:20 Mid 2.02, 3.12 A assign (resid 81 and name HB*) (resid 78 and name HG1) 3.15 1.35 1.35 ! 0.0000 1723:20 Mid 3.66, 4.74 A assign (resid 41 and name HG*) (resid 41 and name HB2) 3.15 1.35 1.35 ! 0.0000 1726:20 Intra 2.35, 2.68 A assign (resid 123 and name HB2) (resid 123 and name HG*) 2.30 0.50 0.50 ! 0.9787 1727:20 Intra 2.27, 2.56 A assign (resid 63 and name HB*) (resid 63 and name HG1) 3.65 1.85 1.85 ! 0.9862 1729:20 Intra 2.38, 2.44 A assign (resid 64 and name HB) (resid 64 and name HG12) 2.65 0.85 0.85 ! 0.9969 1734:20 Intra 2.52, 2.94 A assign (resid 64 and name HB) (resid 64 and name HG11) 2.65 0.85 0.85 ! 0.0000 1735:20 Intra 2.46, 2.59 A assign (resid 77 and name HB2) (resid 77 and name HD2*) 2.65 0.85 0.85 ! 0.9910 1736:20 Intra 2.51, 3.14 A assign (resid 60 and name HG12) (resid 77 and name HD2*) 4.15 2.35 2.35 ! 0.8900 1737:20 Ambig 4.51, 6.09 A or (resid 111 and name HB) (resid 77 and name HD2*) ! 0.1100 1737:20 ----- 6.39, 7.03 A assign (resid 77 and name HG) (resid 77 and name HD2*) 2.65 0.85 0.85 ! 0.9134 1739:20 Intra 2.42, 2.63 A assign (resid 122 and name HB) (resid 122 and name HG12) 2.65 0.85 0.85 ! 0.9924 1740:20 Intra 2.43, 2.82 A assign (resid 60 and name HB) (resid 60 and name HG11) 3.15 1.35 1.35 ! 0.9651 1743:20 Intra 2.46, 2.48 A assign (resid 83 and name HB) (resid 83 and name HG11) 2.65 0.85 0.85 ! 0.9657 1746:20 Intra 2.44, 2.45 A assign (resid 91 and name HB1) (resid 67 and name HG1) 4.15 2.35 2.35 ! 0.0000 1747:20 Long 5.11, 5.77 A assign (resid 67 and name HD1) (resid 67 and name HG1) 3.15 1.35 1.35 ! 0.9950 1748:20 Intra 2.24, 2.26 A assign (resid 115 and name HB1) (resid 122 and name HG11) 4.15 2.35 2.35 ! 0.0000 1749:20 Long 3.18, 4.68 A assign (resid 122 and name HB) (resid 122 and name HG11) 3.15 1.35 1.35 ! 0.9950 1750:20 Intra 2.45, 2.48 A assign (resid 118 and name HD1) (resid 118 and name HG2) 3.15 1.35 1.35 ! 0.9946 1751:20 Intra 2.67, 2.71 A assign (resid 118 and name HD1) (resid 118 and name HG1) 3.15 1.35 1.35 ! 0.9934 1752:20 Intra 2.27, 2.29 A assign (resid 62 and name HG2*) (resid 61 and name HA) 3.65 1.85 1.85 ! 0.8599 1753:20 Ambig 3.25, 4.74 A or (resid 77 and name HB1) (resid 61 and name HA) ! 0.1094 1753:20 ----- 4.59, 4.97 A assign (resid 61 and name HG2*) (resid 61 and name HA) 2.65 0.85 0.85 ! 0.5364 1754:20 Ambig 2.41, 3.26 A or (resid 61 and name HG1*) (resid 61 and name HA) ! 0.4536 1754:20 ----- 2.48, 3.79 A assign (resid 60 and name HD1*) (resid 127 and name HB2) 3.15 1.35 1.35 ! 0.9825 1755:20 Long 2.07, 2.99 A assign (resid 112 and name HG1) (resid 125 and name HA) 4.15 2.35 2.35 ! 0.8721 1758:20 Ambig 3.93, 6.19 A or (resid 112 and name HB1) (resid 125 and name HA) ! 0.1279 1758:20 ----- 5.41, 5.89 A assign (resid 25 and name HB*) (resid 24 and name HB*) 3.65 1.85 1.85 ! 0.5211 1759:20 Ambig 3.87, 5.87 A or (resid 25 and name HB*) (resid 26 and name HB*) ! 0.4789 1759:20 ----- 3.92, 6.26 A assign (resid 60 and name HD1*) (resid 127 and name HB1) 3.15 1.35 1.35 ! 0.9858 1762:20 Long 2.35, 3.78 A assign (resid 77 and name HD1*) (resid 78 and name HG1) 4.15 2.35 2.35 ! 0.0000 1765:20 Seq 4.47, 5.72 A assign (resid 64 and name HG2*) (resid 72 and name HG*) 3.65 1.85 1.85 ! 0.0000 1766:20 Long 3.86, 6.21 A assign (resid 79 and name HB*) (resid 59 and name HG*) 3.15 1.35 1.35 ! 0.9956 1767:20 Long 2.27, 4.78 A assign (resid 77 and name HB1) (resid 77 and name HG) 2.65 0.85 0.85 ! 0.5172 1770:20 Ambig 2.47, 2.49 A or (resid 81 and name HB*) (resid 77 and name HG) ! 0.4741 1770:20 ----- 2.51, 3.60 A assign (resid 77 and name HD2*) (resid 77 and name HG) 2.65 0.85 0.85 ! 0.9698 1771:20 Intra 2.42, 2.63 A assign (resid 83 and name HD1*) (resid 83 and name HG12) 2.65 0.85 0.85 ! 0.9730 1782:20 Intra 2.41, 2.62 A assign (resid 77 and name HB1) (resid 77 and name HD2*) 2.65 0.85 0.85 ! 0.5867 1783:20 Ambig 2.41, 3.01 A or (resid 62 and name HG2*) (resid 77 and name HD2*) ! 0.3211 1783:20 ----- 2.66, 4.81 A assign (resid 81 and name HB*) (resid 83 and name HG11) 3.15 1.35 1.35 ! 0.8810 1789:20 Ambig 3.48, 4.62 A or (resid 62 and name HG2*) (resid 83 and name HG11) ! 0.0641 1789:20 ----- 5.38, 6.65 A assign (resid 83 and name HD1*) (resid 83 and name HG11) 2.65 0.85 0.85 ! 0.0000 1793:20 Intra 2.41, 2.63 A assign (resid 90 and name HG2*) (resid 118 and name HG2) 3.65 1.85 1.85 ! 0.5108 1804:20 Ambig 3.98, 5.64 A or (resid 117 and name HG1*) (resid 118 and name HG2) ! 0.2160 1804:20 ----- 4.60, 6.50 A or (resid 90 and name HG11) (resid 118 and name HG2) ! 0.1612 1804:20 ----- 4.83, 5.53 A or (resid 39 and name HB2) (resid 118 and name HG2) ! 0.0849 1804:20 ----- 5.37, 6.03 A assign (resid 118 and name HD2) (resid 118 and name HG2) 3.15 1.35 1.35 ! 0.6933 1806:20 Ambig 2.27, 2.30 A or (resid 34 and name HG2*) (resid 118 and name HG2) ! 0.3067 1806:20 ----- 2.61, 6.03 A assign (resid 118 and name HB1) (resid 118 and name HG2) 3.15 1.35 1.35 ! 0.0000 1807:20 Intra 2.60, 2.65 A assign (resid 90 and name HG12) (resid 118 and name HG1) 4.15 2.35 2.35 ! 0.6375 1810:20 Ambig 4.45, 5.11 A or (resid 117 and name HB) (resid 118 and name HG1) ! 0.3225 1810:20 ----- 4.98, 5.77 A assign (resid 118 and name HD2) (resid 118 and name HG1) 3.15 1.35 1.35 ! 0.8949 1811:20 Ambig 2.67, 2.97 A or (resid 34 and name HG2*) (resid 118 and name HG1) ! 0.1051 1811:20 ----- 3.81, 7.18 A assign (resid 118 and name HB1) (resid 118 and name HG1) 3.15 1.35 1.35 ! 0.9977 1812:20 Intra 2.31, 2.33 A assign (resid 90 and name HG2*) (resid 118 and name HG1) 3.65 1.85 1.85 ! 0.8092 1813:20 Ambig 2.86, 4.68 A or (resid 90 and name HG11) (resid 118 and name HG1) ! 0.1544 1813:20 ----- 3.77, 4.28 A assign (resid 118 and name HB2) (resid 118 and name HG2) 3.15 1.35 1.35 ! 0.0000 1818:20 Intra 2.31, 2.34 A assign (resid 118 and name HB2) (resid 118 and name HG1) 3.15 1.35 1.35 ! 0.0000 1819:20 Intra 2.68, 2.99 A assign (resid 90 and name HD1*) (resid 90 and name HG12) 3.15 1.35 1.35 ! 0.9767 1821:20 Intra 2.39, 2.62 A assign (resid 90 and name HD1*) (resid 90 and name HG11) 3.15 1.35 1.35 ! 0.9346 1822:20 Intra 2.42, 2.63 A assign (resid 67 and name HB*) (resid 67 and name HG2) 3.15 1.35 1.35 ! 0.0000 1823:20 Intra 2.25, 2.58 A assign (resid 67 and name HB*) (resid 67 and name HG1) 3.15 1.35 1.35 ! 0.0000 1825:20 Intra 2.26, 2.56 A assign (resid 77 and name HN) (resid 77 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1827:20 Intra 4.66, 5.22 A assign (resid 109 and name HN) (resid 97 and name HG12) 3.65 1.85 1.85 ! 0.9953 1828:20 Long 2.92, 3.07 A assign (resid 109 and name HN) (resid 97 and name HG11) 3.65 1.85 1.85 ! 0.9983 1829:20 Long 2.45, 2.62 A assign (resid 131 and name HN) (resid 131 and name HG*) 3.15 1.35 1.35 ! 0.0000 1830:20 Intra 2.77, 4.03 A assign (resid 97 and name HN) (resid 110 and name HA) 3.65 1.85 1.85 ! 0.8706 1831:20 Ambig 4.18, 4.37 A or (resid 91 and name HN) (resid 110 and name HA) ! 0.0772 1831:20 ----- 6.26, 6.66 A assign (resid 111 and name HN) (resid 110 and name HA) 3.15 1.35 1.35 ! 0.9698 1832:20 Seq 3.32, 3.40 A assign (resid 113 and name HN) (resid 113 and name HA) 3.65 1.85 1.85 ! 0.9949 1833:20 Intra 2.79, 2.83 A assign (resid 18 and name HN) (resid 17 and name HA) 3.15 1.35 1.35 ! 0.9353 1834:20 Seq 2.05, 2.75 A assign (resid 17 and name HN) (resid 16 and name HA) 3.15 1.35 1.35 ! 0.6098 1835:20 Ambig 2.02, 2.54 A or (resid 17 and name HN) (resid 17 and name HA) ! 0.3902 1835:20 ----- 2.17, 2.76 A assign (resid 34 and name HN) (resid 33 and name HA) 3.15 1.35 1.35 ! 0.9990 1836:20 Seq 2.03, 2.82 A assign (resid 126 and name HN) (resid 125 and name HA) 2.65 0.85 0.85 ! 0.0000 1837:20 Seq 2.04, 2.08 A assign (resid 125 and name HN) (resid 125 and name HA) 3.65 1.85 1.85 ! 0.9097 1838:20 Intra 2.73, 2.87 A assign (resid 120 and name HN) (resid 119 and name HG2) 4.15 2.35 2.35 ! 0.4718 1839:20 Ambig 3.10, 3.89 A or (resid 33 and name HN) (resid 119 and name HG2) ! 0.4161 1839:20 ----- 3.17, 7.92 A or (resid 35 and name HN) (resid 119 and name HG2) ! 0.0826 1839:20 ----- 4.15, 6.82 A assign (resid 106 and name HN) (resid 106 and name HG2) 3.65 1.85 1.85 ! 0.5405 1840:20 Ambig 4.56, 4.63 A or (resid 107 and name HN) (resid 106 and name HG2) ! 0.4595 1840:20 ----- 4.69, 5.06 A assign (resid 97 and name HN) (resid 97 and name HG12) 3.15 1.35 1.35 ! 0.9976 1841:20 Intra 2.20, 2.25 A assign (resid 35 and name HN) (resid 119 and name HG1) 4.15 2.35 2.35 ! 0.7916 1842:20 Ambig 2.77, 5.32 A or (resid 36 and name HN) (resid 119 and name HG1) ! 0.1157 1842:20 ----- 3.81, 5.86 A assign (resid 107 and name HN) (resid 106 and name HG1) 3.15 1.35 1.35 ! 0.8429 1843:20 Ambig 3.23, 3.66 A or (resid 106 and name HN) (resid 106 and name HG1) ! 0.1571 1843:20 ----- 4.27, 4.45 A assign (resid 69 and name HN) (resid 69 and name HD1*) 3.65 1.85 1.85 ! 0.6199 1844:20 Ambig 3.68, 4.61 A or (resid 94 and name HN) (resid 69 and name HD1*) ! 0.3801 1844:20 ----- 4.00, 6.27 A assign (resid 97 and name HN) (resid 97 and name HG11) 3.15 1.35 1.35 ! 0.9651 1845:20 Intra 2.91, 2.97 A assign (resid 38 and name HN) (resid 38 and name HG*) 3.65 1.85 1.85 ! 0.0000 1846:20 Intra 2.53, 3.86 A assign (resid 16 and name HN) (resid 16 and name HA) 3.65 1.85 1.85 ! 0.9859 1847:20 Intra 2.23, 2.74 A assign (resid 114 and name HN) (resid 113 and name HA) 2.65 0.85 0.85 ! 0.9972 1848:20 Seq 2.11, 2.23 A assign (resid 45 and name HN) (resid 44 and name HA) 2.65 0.85 0.85 ! 0.9925 1849:20 Seq 2.15, 2.21 A assign (resid 44 and name HN) (resid 44 and name HA) 3.15 1.35 1.35 ! 0.7231 1850:20 Ambig 2.80, 2.90 A or (resid 91 and name HE21) (resid 44 and name HA) ! 0.2769 1850:20 ----- 3.29, 4.49 A assign (resid 45 and name HD1) (resid 44 and name HA) 4.15 2.35 2.35 ! 0.9894 1851:20 Seq 3.47, 3.73 A assign (resid 30 and name HN) (resid 30 and name HA) 3.65 1.85 1.85 ! 0.0000 1852:20 Intra 2.23, 2.63 A assign (resid 94 and name HE1) (resid 69 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1853:20 Long 2.36, 4.88 A assign (resid 39 and name HN) (resid 38 and name HG*) 3.65 1.85 1.85 ! 0.9864 1854:20 Seq 2.23, 4.12 A assign (resid 52 and name HN) (resid 131 and name HG*) 4.15 2.35 2.35 ! 0.0000 1855:20 Long 3.85, 5.43 A assign (resid 82 and name HN) (resid 77 and name HD1*) 4.15 2.35 2.35 ! 0.6854 1856:20 Ambig 4.89, 6.33 A or (resid 60 and name HN) (resid 77 and name HD1*) ! 0.3146 1856:20 ----- 5.56, 6.13 A assign (resid 81 and name HN) (resid 77 and name HD1*) 3.65 1.85 1.85 ! 0.8108 1857:20 Ambig 4.77, 5.70 A or (resid 76 and name HD21) (resid 77 and name HD1*) ! 0.1892 1857:20 ----- 6.08, 7.96 A assign (resid 112 and name HN) (resid 110 and name HA) 3.65 1.85 1.85 ! 0.3933 1858:20 Ambig 4.18, 4.29 A or (resid 127 and name HZ3) (resid 110 and name HA) ! 0.3298 1858:20 ----- 4.31, 4.67 A or (resid 96 and name HZ2) (resid 110 and name HA) ! 0.2769 1858:20 ----- 4.43, 4.68 A assign (resid 91 and name HE22) (resid 44 and name HA) 3.65 1.85 1.85 ! 0.0000 1859:20 Long 3.39, 4.08 A assign (resid 127 and name HZ3) (resid 110 and name HG2) 3.15 1.35 1.35 ! 0.9817 1860:20 Long 2.15, 2.93 A assign (resid 108 and name HE*) (resid 106 and name HG2) 3.15 1.35 1.35 ! 0.0000 1861:20 Mid 2.65, 4.29 A assign (resid 99 and name HD*) (resid 97 and name HG12) 3.65 1.85 1.85 ! 0.9007 1862:20 Mid 3.86, 6.09 A assign (resid 99 and name HE*) (resid 97 and name HG12) 3.65 1.85 1.85 ! 0.0000 1863:20 Mid 3.38, 5.95 A assign (resid 127 and name HZ3) (resid 110 and name HG1) 3.15 1.35 1.35 ! 0.5577 1865:20 Ambig 3.29, 4.04 A or (resid 96 and name HZ3) (resid 110 and name HG1) ! 0.3848 1865:20 ----- 3.50, 3.80 A assign (resid 96 and name HZ2) (resid 69 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1866:20 Long 2.00, 4.69 A assign (resid 108 and name HE*) (resid 106 and name HG1) 3.15 1.35 1.35 ! 0.0000 1868:20 Mid 2.26, 3.80 A assign (resid 99 and name HD*) (resid 97 and name HG11) 4.15 2.35 2.35 ! 0.0000 1869:20 Mid 2.12, 4.41 A assign (resid 46 and name HE*) (resid 38 and name HG*) 3.65 1.85 1.85 ! 0.8042 1870:20 Ambig 2.90, 5.71 A or (resid 96 and name HH2) (resid 110 and name HG1) ! 0.1932 1870:20 ----- 3.67, 4.03 A assign (resid 99 and name HE*) (resid 97 and name HG11) 4.15 2.35 2.35 ! 0.0000 1871:20 Mid 2.22, 4.68 A assign (resid 55 and name HD22) (resid 77 and name HD1*) 4.15 2.35 2.35 ! 0.0000 1872:20 Long 5.65, 6.48 A assign (resid 99 and name HE*) (resid 77 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1873:20 Long 3.54, 5.30 A assign (resid 68 and name HN) (resid 67 and name HB*) 3.65 1.85 1.85 ! 0.0000 1874:20 Seq 3.63, 3.88 A assign (resid 94 and name HD2) (resid 113 and name HA) 3.65 1.85 1.85 ! 0.0000 1875:20 Long 1.93, 2.18 A assign (resid 45 and name HA) (resid 44 and name HA) 3.65 1.85 1.85 ! 0.0000 1876:20 Seq 4.36, 4.42 A assign (resid 108 and name HD*) (resid 67 and name HB*) 3.65 1.85 1.85 ! 0.0000 1877:20 Long 2.94, 4.83 A assign (resid 96 and name HA) (resid 110 and name HA) 3.15 1.35 1.35 ! 0.9421 1878:20 Long 2.68, 2.88 A assign (resid 109 and name HA) (resid 110 and name HG2) 3.65 1.85 1.85 ! 0.8906 1884:20 Ambig 4.36, 4.42 A or (resid 96 and name HA) (resid 110 and name HG2) ! 0.1094 1884:20 ----- 6.18, 6.30 A assign (resid 97 and name HA) (resid 97 and name HG12) 3.15 1.35 1.35 ! 0.4234 1886:20 Ambig 3.78, 3.80 A or (resid 96 and name HA) (resid 97 and name HG12) ! 0.3075 1886:20 ----- 3.99, 4.05 A or (resid 109 and name HA) (resid 97 and name HG12) ! 0.1391 1886:20 ----- 4.55, 4.69 A or (resid 108 and name HA) (resid 97 and name HG12) ! 0.1147 1886:20 ----- 4.70, 4.85 A assign (resid 109 and name HA) (resid 110 and name HG1) 3.65 1.85 1.85 ! 0.8608 1888:20 Ambig 4.38, 4.43 A or (resid 96 and name HA) (resid 110 and name HG1) ! 0.0836 1888:20 ----- 6.47, 6.66 A assign (resid 94 and name HA) (resid 69 and name HD1*) 4.15 2.35 2.35 ! 0.7099 1889:20 Ambig 5.43, 7.70 A or (resid 70 and name HA) (resid 69 and name HD1*) ! 0.2901 1889:20 ----- 6.30, 7.23 A assign (resid 97 and name HA) (resid 97 and name HG11) 3.15 1.35 1.35 ! 0.4037 1890:20 Ambig 3.69, 3.70 A or (resid 108 and name HA) (resid 97 and name HG11) ! 0.3977 1890:20 ----- 3.70, 3.88 A or (resid 109 and name HA) (resid 97 and name HG11) ! 0.0842 1890:20 ----- 4.79, 4.90 A or (resid 96 and name HA) (resid 97 and name HG11) ! 0.0683 1890:20 ----- 4.96, 5.05 A assign (resid 130 and name HA) (resid 131 and name HG*) 4.15 2.35 2.35 ! 0.0000 1891:20 Seq 3.66, 5.34 A assign (resid 77 and name HA) (resid 77 and name HD1*) 2.65 0.85 0.85 ! 0.9986 1892:20 Intra 2.10, 3.00 A assign (resid 110 and name HD1) (resid 110 and name HG2) 3.15 1.35 1.35 ! 0.7971 1898:20 Ambig 2.97, 2.98 A or (resid 110 and name HA) (resid 110 and name HG2) ! 0.1951 1898:20 ----- 3.76, 3.84 A assign (resid 106 and name HA) (resid 106 and name HG2) 3.65 1.85 1.85 ! 0.0000 1902:20 Intra 3.72, 3.80 A assign (resid 34 and name HA) (resid 119 and name HG1) 3.65 1.85 1.85 ! 0.8043 1903:20 Ambig 2.48, 4.95 A or (resid 119 and name HA) (resid 119 and name HG1) ! 0.1957 1903:20 ----- 3.14, 3.78 A assign (resid 106 and name HA) (resid 106 and name HG1) 3.15 1.35 1.35 ! 0.0000 1904:20 Intra 2.87, 3.08 A assign (resid 69 and name HA) (resid 69 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1906:20 Intra 2.03, 3.89 A assign (resid 110 and name HD1) (resid 110 and name HG1) 2.65 0.85 0.85 ! 0.9654 1907:20 Intra 2.29, 2.31 A assign (resid 38 and name HA) (resid 38 and name HG*) 3.15 1.35 1.35 ! 0.0000 1908:20 Intra 2.48, 2.98 A assign (resid 131 and name HA) (resid 131 and name HG*) 3.15 1.35 1.35 ! 0.9892 1909:20 Intra 2.50, 3.09 A assign (resid 119 and name HD2) (resid 119 and name HG2) 2.65 0.85 0.85 ! 0.7170 1914:20 Ambig 2.25, 2.29 A or (resid 119 and name HD1) (resid 119 and name HG2) ! 0.2804 1914:20 ----- 2.63, 2.82 A assign (resid 119 and name HD1) (resid 119 and name HG1) 2.65 0.85 0.85 ! 0.7405 1917:20 Ambig 2.26, 2.30 A or (resid 119 and name HD2) (resid 119 and name HG1) ! 0.2347 1917:20 ----- 2.74, 2.89 A assign (resid 52 and name HB) (resid 131 and name HG*) 3.15 1.35 1.35 ! 0.0000 1918:20 Long 2.95, 4.16 A assign (resid 78 and name HD2) (resid 77 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1919:20 Seq 1.92, 3.15 A assign (resid 94 and name HB2) (resid 113 and name HA) 3.65 1.85 1.85 ! 0.0000 1920:20 Long 4.48, 4.79 A assign (resid 91 and name HB2) (resid 44 and name HA) 3.65 1.85 1.85 ! 0.0000 1921:20 Long 3.38, 3.78 A assign (resid 40 and name HB1) (resid 44 and name HA) 3.65 1.85 1.85 ! 0.3409 1922:20 Ambig 4.46, 5.24 A or (resid 45 and name HB2) (resid 44 and name HA) ! 0.3164 1922:20 ----- 4.51, 4.57 A or (resid 89 and name HB2) (resid 44 and name HA) ! 0.2645 1922:20 ----- 4.65, 6.12 A assign (resid 119 and name HB2) (resid 119 and name HG2) 3.15 1.35 1.35 ! 0.0000 1925:20 Intra 2.26, 2.30 A assign (resid 106 and name HD1) (resid 106 and name HG2) 3.15 1.35 1.35 ! 0.0000 1926:20 Intra 2.47, 2.69 A assign (resid 109 and name HB2) (resid 97 and name HG12) 3.15 1.35 1.35 ! 0.8664 1927:20 Ambig 3.66, 3.74 A or (resid 99 and name HB1) (resid 97 and name HG12) ! 0.0707 1927:20 ----- 5.55, 6.09 A assign (resid 109 and name HB1) (resid 97 and name HG12) 3.15 1.35 1.35 ! 0.9912 1928:20 Long 2.03, 2.08 A assign (resid 32 and name HB2) (resid 119 and name HG1) 3.15 1.35 1.35 ! 0.5963 1931:20 Ambig 2.49, 7.79 A or (resid 119 and name HB2) (resid 119 and name HG1) ! 0.4037 1931:20 ----- 2.65, 2.82 A assign (resid 106 and name HD1) (resid 106 and name HG1) 3.15 1.35 1.35 ! 0.0000 1932:20 Intra 2.41, 2.83 A assign (resid 109 and name HB2) (resid 97 and name HG11) 3.15 1.35 1.35 ! 0.6839 1933:20 Ambig 3.41, 3.52 A or (resid 99 and name HB1) (resid 97 and name HG11) ! 0.2924 1933:20 ----- 3.92, 4.46 A assign (resid 38 and name HE*) (resid 38 and name HG*) 3.65 1.85 1.85 ! 0.0000 1934:20 Intra 2.36, 3.16 A assign (resid 109 and name HB1) (resid 97 and name HG11) 3.15 1.35 1.35 ! 0.9015 1935:20 Long 2.41, 2.50 A assign (resid 131 and name HE*) (resid 131 and name HG*) 3.15 1.35 1.35 ! 0.0000 1939:20 Intra 2.38, 3.07 A assign (resid 55 and name HB1) (resid 77 and name HD1*) 4.15 2.35 2.35 ! 0.0000 1940:20 Long 4.25, 5.41 A assign (resid 78 and name HB2) (resid 77 and name HD1*) 4.15 2.35 2.35 ! 0.0000 1941:20 Seq 5.20, 6.56 A assign (resid 67 and name HA) (resid 67 and name HB*) 3.15 1.35 1.35 ! 0.0000 1942:20 Intra 2.27, 2.53 A assign (resid 119 and name HB1) (resid 33 and name HA) 3.15 1.35 1.35 ! 0.7035 1943:20 Ambig 2.09, 7.46 A or (resid 33 and name HB) (resid 33 and name HA) ! 0.2920 1943:20 ----- 2.41, 2.59 A assign (resid 17 and name HB) (resid 17 and name HA) 3.65 1.85 1.85 ! 0.5070 1944:20 Ambig 2.38, 2.70 A or (resid 16 and name HB) (resid 16 and name HA) ! 0.4661 1944:20 ----- 2.42, 2.69 A assign (resid 91 and name HB1) (resid 44 and name HA) 4.15 2.35 2.35 ! 0.0000 1945:20 Long 4.91, 5.26 A assign (resid 125 and name HB) (resid 125 and name HA) 3.15 1.35 1.35 ! 0.9822 1946:20 Intra 3.03, 3.03 A assign (resid 126 and name HB*) (resid 125 and name HA) 3.15 1.35 1.35 ! 0.0000 1947:20 Seq 4.43, 4.90 A assign (resid 119 and name HB1) (resid 119 and name HG2) 3.15 1.35 1.35 ! 0.9433 1949:20 Intra 2.68, 2.89 A assign (resid 119 and name HB1) (resid 119 and name HG1) 2.65 0.85 0.85 ! 0.9777 1956:20 Intra 2.26, 2.30 A assign (resid 69 and name HG) (resid 69 and name HD1*) 2.30 0.50 0.50 ! 0.5344 1961:20 Ambig 2.37, 2.62 A or (resid 69 and name HB2) (resid 69 and name HD1*) ! 0.4413 1961:20 ----- 2.44, 3.44 A assign (resid 38 and name HD*) (resid 38 and name HG*) 2.30 0.50 0.50 ! 0.5193 1964:20 Ambig 2.32, 2.68 A or (resid 38 and name HB2) (resid 38 and name HG*) ! 0.4772 1964:20 ----- 2.36, 2.69 A assign (resid 21 and name HB*) (resid 21 and name HG*) 2.30 0.50 0.50 ! 0.0000 1966:20 Intra 2.27, 2.67 A assign (resid 4 and name HB*) (resid 4 and name HG*) 2.30 0.50 0.50 ! 0.5573 1967:20 Ambig 2.29, 2.68 A or (resid 4 and name HD*) (resid 4 and name HG*) ! 0.4427 1967:20 ----- 2.38, 2.70 A assign (resid 131 and name HB2) (resid 131 and name HG*) 2.65 0.85 0.85 ! 0.9416 1969:20 Intra 2.33, 2.64 A assign (resid 77 and name HB2) (resid 77 and name HD1*) 2.65 0.85 0.85 ! 0.9001 1972:20 Intra 2.43, 3.06 A assign (resid 78 and name HB1) (resid 77 and name HD1*) 4.15 2.35 2.35 ! 0.0000 1973:20 Seq 5.63, 6.83 A assign (resid 77 and name HG) (resid 77 and name HD1*) 2.65 0.85 0.85 ! 0.9169 1975:20 Intra 2.40, 2.62 A assign (resid 91 and name HB1) (resid 67 and name HB*) 4.15 2.35 2.35 ! 0.0000 1979:20 Long 2.74, 3.77 A assign (resid 91 and name HG2) (resid 67 and name HB*) 3.65 1.85 1.85 ! 0.6748 1980:20 Ambig 3.00, 3.92 A or (resid 67 and name HD1) (resid 67 and name HB*) ! 0.3252 1980:20 ----- 3.39, 3.88 A assign (resid 108 and name HB1) (resid 67 and name HB*) 3.65 1.85 1.85 ! 0.9497 1981:20 Long 2.86, 3.98 A assign (resid 113 and name HG2*) (resid 113 and name HA) 2.65 0.85 0.85 ! 0.9940 1982:20 Intra 2.39, 3.18 A assign (resid 33 and name HG1*) (resid 33 and name HA) 2.65 0.85 0.85 ! 0.5614 1983:20 Ambig 2.41, 3.39 A or (resid 33 and name HG2*) (resid 33 and name HA) ! 0.4386 1983:20 ----- 2.52, 3.50 A assign (resid 16 and name HG1*) (resid 16 and name HA) 3.15 1.35 1.35 ! 0.2748 1984:20 Ambig 2.38, 3.29 A or (resid 17 and name HG1*) (resid 17 and name HA) ! 0.2458 1984:20 ----- 2.42, 3.31 A or (resid 17 and name HG2*) (resid 17 and name HA) ! 0.2102 1984:20 ----- 2.49, 3.44 A or (resid 16 and name HG2*) (resid 16 and name HA) ! 0.1961 1984:20 ----- 2.51, 3.47 A assign (resid 125 and name HG2*) (resid 125 and name HA) 2.65 0.85 0.85 ! 0.4840 1985:20 Ambig 2.48, 3.13 A or (resid 125 and name HG1*) (resid 125 and name HA) ! 0.4334 1985:20 ----- 2.52, 3.15 A assign (resid 60 and name HG2*) (resid 110 and name HG2) 2.65 0.85 0.85 ! 0.8238 1987:20 Ambig 2.42, 2.82 A or (resid 60 and name HD1*) (resid 110 and name HG2) ! 0.1762 1987:20 ----- 3.13, 4.88 A assign (resid 38 and name HB1) (resid 38 and name HG*) 2.65 0.85 0.85 ! 0.9261 1995:20 Intra 2.36, 2.70 A assign (resid 129 and name HG1*) (resid 131 and name HG*) 3.65 1.85 1.85 ! 0.9940 1996:20 Mid 2.34, 5.17 A assign (resid 54 and name HG2*) (resid 131 and name HG*) 3.15 1.35 1.35 ! 0.0000 1997:20 Long 2.29, 4.90 A assign (resid 81 and name HB*) (resid 77 and name HD1*) 2.65 0.85 0.85 ! 0.9230 1998:20 Mid 2.42, 3.71 A assign (resid 67 and name HG2) (resid 67 and name HB*) 2.65 0.85 0.85 ! 0.9802 2003:20 Intra 2.25, 2.58 A assign (resid 67 and name HG1) (resid 67 and name HB*) 3.65 1.85 1.85 ! 0.0000 2004:20 Intra 2.26, 2.56 A assign (resid 111 and name HG2*) (resid 110 and name HA) 3.65 1.85 1.85 ! 0.9849 2005:20 Seq 3.63, 4.83 A assign (resid 111 and name HG1*) (resid 110 and name HA) 4.15 2.35 2.35 ! 0.0000 2006:20 Seq 4.57, 5.62 A assign (resid 97 and name HD1*) (resid 97 and name HG12) 3.15 1.35 1.35 ! 0.8348 2007:20 Ambig 2.41, 2.62 A or (resid 111 and name HG2*) (resid 97 and name HG12) ! 0.1569 2007:20 ----- 3.18, 4.16 A assign (resid 111 and name HG1*) (resid 97 and name HG12) 3.65 1.85 1.85 ! 0.0000 2009:20 Long 2.24, 2.79 A assign (resid 97 and name HD1*) (resid 97 and name HG11) 3.15 1.35 1.35 ! 0.9856 2010:20 Intra 2.43, 2.63 A assign (resid 111 and name HG1*) (resid 97 and name HG11) 3.15 1.35 1.35 ! 0.0000 2012:20 Long 3.82, 4.29 A assign (resid 83 and name HD1*) (resid 77 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2013:20 Long 2.43, 4.21 A assign (resid 83 and name HG2*) (resid 77 and name HD1*) 3.15 1.35 1.35 ! 0.8096 2014:20 Ambig 3.98, 5.61 A or (resid 97 and name HD1*) (resid 77 and name HD1*) ! 0.1904 2014:20 ----- 5.06, 7.10 A assign (resid 110 and name HB1) (resid 110 and name HA) 3.15 1.35 1.35 ! 0.0000 2017:20 Intra 2.26, 2.28 A assign (resid 110 and name HB1) (resid 110 and name HG2) 3.15 1.35 1.35 ! 0.0000 2018:20 Intra 2.98, 2.99 A assign (resid 110 and name HB1) (resid 110 and name HG1) 3.15 1.35 1.35 ! 0.0000 2019:20 Intra 2.32, 2.33 A assign (resid 46 and name HN) (resid 44 and name HG2*) 4.15 2.35 2.35 ! 0.7055 2020:20 Ambig 4.46, 5.80 A or (resid 96 and name HE1) (resid 44 and name HG2*) ! 0.2945 2020:20 ----- 5.16, 6.28 A assign (resid 77 and name HN) (resid 62 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2021:20 Long 2.77, 4.10 A assign (resid 127 and name HE1) (resid 125 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2023:20 Mid 4.42, 5.83 A assign (resid 45 and name HE1) (resid 117 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2024:20 Long 3.47, 5.73 A assign (resid 45 and name HE1) (resid 39 and name HG1) 4.15 2.35 2.35 ! 0.0000 2025:20 Long 3.56, 4.04 A assign (resid 90 and name HN) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2026:20 Long 2.49, 3.53 A assign (resid 109 and name HN) (resid 62 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2027:20 Long 3.75, 5.08 A assign (resid 63 and name HN) (resid 62 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2028:20 Seq 2.16, 4.34 A assign (resid 83 and name HN) (resid 82 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2029:20 Seq 3.20, 4.04 A assign (resid 109 and name HN) (resid 107 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2030:20 Mid 4.14, 5.39 A assign (resid 63 and name HN) (resid 107 and name HG1*) 3.15 1.35 1.35 ! 0.7843 2031:20 Ambig 3.38, 4.18 A or (resid 65 and name HN) (resid 107 and name HG1*) ! 0.2157 2031:20 ----- 4.19, 5.65 A assign (resid 89 and name HN) (resid 88 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2032:20 Seq 4.15, 5.00 A assign (resid 53 and name HN) (resid 52 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2033:20 Seq 2.31, 3.20 A assign (resid 89 and name HN) (resid 88 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2034:20 Seq 2.57, 3.47 A assign (resid 65 and name HN) (resid 107 and name HG2*) 3.65 1.85 1.85 ! 0.9569 2035:20 Long 3.38, 5.16 A assign (resid 109 and name HN) (resid 111 and name HG1*) 4.15 2.35 2.35 ! 0.9120 2036:20 Mid 4.23, 5.17 A assign (resid 61 and name HN) (resid 60 and name HA) 2.65 0.85 0.85 ! 0.9989 2037:20 Seq 2.11, 2.17 A assign (resid 108 and name HN) (resid 67 and name HA) 4.15 2.35 2.35 ! 0.6675 2038:20 Ambig 5.49, 5.87 A or (resid 91 and name HN) (resid 67 and name HA) ! 0.2089 2038:20 ----- 6.67, 7.05 A or (resid 97 and name HN) (resid 67 and name HA) ! 0.1236 2038:20 ----- 7.28, 7.54 A assign (resid 113 and name HN) (resid 112 and name HG1) 3.65 1.85 1.85 ! 0.6595 2041:20 Ambig 2.82, 3.57 A or (resid 108 and name HN) (resid 62 and name HG2*) ! 0.3344 2041:20 ----- 3.16, 5.59 A assign (resid 74 and name HN) (resid 73 and name HG2*) 2.65 0.85 0.85 ! 0.5068 2044:20 Ambig 1.83, 3.68 A or (resid 74 and name HN) (resid 73 and name HG1*) ! 0.4932 2044:20 ----- 1.83, 3.99 A assign (resid 55 and name HN) (resid 82 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2045:20 Long 4.43, 6.22 A assign (resid 126 and name HN) (resid 125 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2046:20 Seq 4.24, 4.97 A assign (resid 125 and name HN) (resid 125 and name HG2*) 3.15 1.35 1.35 ! 0.9973 2048:20 Intra 2.00, 3.20 A assign (resid 61 and name HN) (resid 61 and name HG1*) 2.65 0.85 0.85 ! 0.0000 2049:20 Intra 2.06, 3.06 A assign (resid 73 and name HN) (resid 73 and name HG2*) 2.65 0.85 0.85 ! 0.5858 2050:20 Ambig 1.96, 3.53 A or (resid 73 and name HN) (resid 73 and name HG1*) ! 0.4133 2050:20 ----- 2.08, 3.51 A assign (resid 15 and name HN) (resid 15 and name HG2*) 3.65 1.85 1.85 ! 0.4063 2051:20 Ambig 2.01, 4.18 A or (resid 22 and name HN) (resid 22 and name HG2*) ! 0.3200 2051:20 ----- 2.10, 4.31 A or (resid 34 and name HN) (resid 34 and name HG2*) ! 0.1517 2051:20 ----- 2.37, 4.22 A or (resid 37 and name HN) (resid 34 and name HG2*) ! 0.1090 2051:20 ----- 2.51, 5.35 A assign (resid 82 and name HN) (resid 82 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2052:20 Intra 2.08, 4.47 A assign (resid 40 and name HN) (resid 39 and name HG2) 3.65 1.85 1.85 ! 0.0000 2053:20 Seq 2.64, 3.11 A assign (resid 108 and name HN) (resid 107 and name HG1*) 2.65 0.85 0.85 ! 0.0000 2054:20 Seq 2.45, 3.16 A assign (resid 107 and name HN) (resid 107 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2055:20 Intra 4.29, 4.61 A assign (resid 99 and name HN) (resid 107 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2056:20 Long 4.73, 5.84 A assign (resid 88 and name HN) (resid 88 and name HG2*) 3.15 1.35 1.35 ! 0.9836 2057:20 Intra 2.42, 3.55 A assign (resid 69 and name HN) (resid 69 and name HD2*) 3.65 1.85 1.85 ! 0.9190 2058:20 Intra 2.07, 3.72 A assign (resid 88 and name HN) (resid 88 and name HG1*) 3.15 1.35 1.35 ! 0.7337 2059:20 Ambig 4.26, 4.64 A or (resid 97 and name HN) (resid 88 and name HG1*) ! 0.2663 2059:20 ----- 5.04, 6.71 A assign (resid 47 and name HN) (resid 47 and name HG1) 3.65 1.85 1.85 ! 0.0000 2060:20 Intra 2.36, 3.28 A assign (resid 101 and name HN) (resid 107 and name HG2*) 3.15 1.35 1.35 ! 0.9303 2061:20 Long 2.63, 3.94 A assign (resid 107 and name HN) (resid 107 and name HG2*) 3.15 1.35 1.35 ! 0.9516 2062:20 Intra 2.39, 3.43 A assign (resid 99 and name HN) (resid 107 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2063:20 Long 5.09, 6.06 A assign (resid 40 and name HN) (resid 39 and name HG1) 3.65 1.85 1.85 ! 0.0000 2064:20 Seq 2.92, 3.17 A assign (resid 97 and name HN) (resid 111 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2065:20 Long 3.32, 4.29 A assign (resid 111 and name HN) (resid 111 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2066:20 Intra 2.30, 3.25 A assign (resid 60 and name HN) (resid 60 and name HA) 3.15 1.35 1.35 ! 0.0000 2067:20 Intra 2.93, 2.94 A assign (resid 45 and name HN) (resid 44 and name HG2*) 3.15 1.35 1.35 ! 0.9966 2069:20 Seq 2.48, 3.44 A assign (resid 91 and name HE21) (resid 44 and name HG2*) 3.15 1.35 1.35 ! 0.7945 2070:20 Ambig 2.76, 4.80 A or (resid 40 and name HD21) (resid 44 and name HG2*) ! 0.1420 2070:20 ----- 3.67, 5.86 A assign (resid 40 and name HD22) (resid 44 and name HG2*) 4.15 2.35 2.35 ! 0.9819 2071:20 Mid 3.16, 6.49 A assign (resid 62 and name HN) (resid 62 and name HG2*) 3.15 1.35 1.35 ! 0.9702 2072:20 Intra 2.26, 3.63 A assign (resid 62 and name HN) (resid 61 and name HG1*) 3.15 1.35 1.35 ! 0.5564 2077:20 Ambig 4.10, 4.92 A or (resid 52 and name HN) (resid 52 and name HG2*) ! 0.4143 2077:20 ----- 4.30, 4.58 A assign (resid 39 and name HN) (resid 39 and name HG2) 3.65 1.85 1.85 ! 0.0000 2080:20 Intra 4.35, 4.46 A assign (resid 43 and name HN) (resid 39 and name HG2) 4.15 2.35 2.35 ! 0.9424 2082:20 Mid 3.36, 3.78 A assign (resid 70 and name HN) (resid 69 and name HD2*) 3.65 1.85 1.85 ! 0.7955 2083:20 Ambig 4.21, 5.39 A or (resid 91 and name HE21) (resid 69 and name HD2*) ! 0.2045 2083:20 ----- 5.28, 7.10 A assign (resid 85 and name HD*) (resid 88 and name HG2*) 3.65 1.85 1.85 ! 0.9855 2084:20 Mid 2.45, 5.02 A assign (resid 84 and name HN) (resid 52 and name HG2*) 3.15 1.35 1.35 ! 0.8162 2085:20 Ambig 3.36, 5.05 A or (resid 52 and name HN) (resid 52 and name HG2*) ! 0.1838 2085:20 ----- 4.30, 4.58 A assign (resid 37 and name HZ2) (resid 88 and name HG1*) 3.65 1.85 1.85 ! 0.7378 2086:20 Ambig 3.50, 4.81 A or (resid 37 and name HE3) (resid 88 and name HG1*) ! 0.1160 2086:20 ----- 4.77, 6.17 A or (resid 85 and name HD*) (resid 88 and name HG1*) ! 0.1129 2086:20 ----- 4.79, 7.15 A assign (resid 117 and name HN) (resid 117 and name HG1*) 3.15 1.35 1.35 ! 0.5404 2087:20 Ambig 3.29, 4.23 A or (resid 120 and name HD21) (resid 117 and name HG1*) ! 0.4596 2087:20 ----- 3.38, 7.69 A assign (resid 45 and name HD1) (resid 117 and name HG1*) 3.65 1.85 1.85 ! 0.5784 2088:20 Ambig 4.35, 6.59 A or (resid 45 and name HZ2) (resid 117 and name HG1*) ! 0.4216 2088:20 ----- 4.59, 6.68 A assign (resid 39 and name HN) (resid 39 and name HG1) 3.65 1.85 1.85 ! 0.0000 2089:20 Intra 4.50, 4.58 A assign (resid 45 and name HD1) (resid 39 and name HG1) 4.15 2.35 2.35 ! 0.5892 2090:20 Ambig 3.86, 4.29 A or (resid 45 and name HZ2) (resid 39 and name HG1) ! 0.3934 2090:20 ----- 4.13, 4.69 A assign (resid 96 and name HE3) (resid 67 and name HA) 3.65 1.85 1.85 ! 0.7150 2091:20 Ambig 3.83, 4.20 A or (resid 68 and name HD*) (resid 67 and name HA) ! 0.2432 2091:20 ----- 4.58, 5.63 A assign (resid 96 and name HZ3) (resid 67 and name HA) 3.65 1.85 1.85 ! 0.0000 2092:20 Long 3.97, 4.63 A assign (resid 68 and name HN) (resid 67 and name HA) 3.15 1.35 1.35 ! 0.9907 2093:20 Seq 2.08, 2.12 A assign (resid 130 and name HE*) (resid 112 and name HG2) 4.15 2.35 2.35 ! 0.0000 2094:20 Long 2.53, 4.40 A assign (resid 46 and name HD*) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.6611 2095:20 Ambig 4.06, 6.61 A or (resid 42 and name HD*) (resid 44 and name HG2*) ! 0.3389 2095:20 ----- 4.53, 7.47 A assign (resid 91 and name HE22) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.6351 2096:20 Ambig 4.02, 5.36 A or (resid 108 and name HE*) (resid 44 and name HG2*) ! 0.3649 2096:20 ----- 4.40, 6.89 A assign (resid 130 and name HE*) (resid 112 and name HG1) 4.15 2.35 2.35 ! 0.0000 2097:20 Long 3.82, 5.50 A assign (resid 112 and name HN) (resid 112 and name HG1) 4.15 2.35 2.35 ! 0.0000 2098:20 Intra 3.38, 3.79 A assign (resid 75 and name HN) (resid 62 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2099:20 Long 5.79, 6.77 A assign (resid 99 and name HE*) (resid 62 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2102:20 Long 2.78, 5.22 A assign (resid 75 and name HN) (resid 61 and name HG2*) 3.15 1.35 1.35 ! 0.4589 2103:20 Ambig 3.27, 4.69 A or (resid 75 and name HN) (resid 73 and name HG2*) ! 0.3709 2103:20 ----- 3.39, 5.45 A or (resid 75 and name HN) (resid 73 and name HG1*) ! 0.1702 2103:20 ----- 3.86, 5.68 A assign (resid 45 and name HH2) (resid 34 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2105:20 Long 2.49, 4.32 A assign (resid 45 and name HZ3) (resid 34 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2106:20 Long 1.98, 3.52 A assign (resid 51 and name HN) (resid 88 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2108:20 Long 5.18, 5.94 A assign (resid 99 and name HE*) (resid 107 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2109:20 Long 2.94, 4.58 A assign (resid 71 and name HN) (resid 69 and name HD2*) 4.15 2.35 2.35 ! 0.5396 2110:20 Ambig 5.46, 6.47 A or (resid 96 and name HD1) (resid 69 and name HD2*) ! 0.4604 2110:20 ----- 5.61, 7.13 A assign (resid 37 and name HH2) (resid 88 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2111:20 Long 3.70, 5.32 A assign (resid 96 and name HZ2) (resid 69 and name HD2*) 3.15 1.35 1.35 ! 0.0000 2112:20 Long 1.96, 3.51 A assign (resid 85 and name HE*) (resid 88 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2113:20 Mid 1.95, 4.58 A assign (resid 96 and name HH2) (resid 69 and name HD2*) 3.65 1.85 1.85 ! 0.8316 2114:20 Ambig 3.46, 5.22 A or (resid 68 and name HN) (resid 69 and name HD2*) ! 0.1684 2114:20 ----- 4.51, 5.93 A assign (resid 37 and name HH2) (resid 88 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2116:20 Long 2.04, 2.89 A assign (resid 99 and name HE*) (resid 107 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2118:20 Long 3.22, 5.62 A assign (resid 130 and name HZ) (resid 111 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2119:20 Long 3.55, 4.42 A assign (resid 99 and name HE*) (resid 111 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2120:20 Long 4.75, 7.47 A assign (resid 130 and name HE*) (resid 111 and name HG1*) 3.65 1.85 1.85 ! 0.7528 2121:20 Ambig 2.71, 5.23 A or (resid 53 and name HD*) (resid 111 and name HG1*) ! 0.2381 2121:20 ----- 3.29, 4.45 A assign (resid 108 and name HD*) (resid 67 and name HA) 3.65 1.85 1.85 ! 0.0000 2122:20 Long 3.88, 4.80 A assign (resid 89 and name HA) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.8058 2123:20 Ambig 3.21, 4.18 A or (resid 46 and name HA) (resid 44 and name HG2*) ! 0.1942 2123:20 ----- 4.07, 5.26 A assign (resid 45 and name HA) (resid 44 and name HG2*) 3.15 1.35 1.35 ! 0.9668 2124:20 Seq 4.10, 5.20 A assign (resid 88 and name HA) (resid 88 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2126:20 Intra 2.48, 3.16 A assign (resid 88 and name HA) (resid 88 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2127:20 Intra 2.49, 3.13 A assign (resid 45 and name HA) (resid 39 and name HG1) 3.65 1.85 1.85 ! 0.0000 2128:20 Long 3.24, 3.71 A assign (resid 109 and name HA) (resid 62 and name HG2*) 3.15 1.35 1.35 ! 0.9431 2131:20 Long 1.96, 3.10 A assign (resid 76 and name HA) (resid 61 and name HG2*) 3.65 1.85 1.85 ! 0.8863 2132:20 Ambig 3.02, 4.82 A or (resid 63 and name HA) (resid 61 and name HG2*) ! 0.1015 2132:20 ----- 4.34, 5.97 A assign (resid 62 and name HA) (resid 62 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2133:20 Intra 2.32, 3.02 A assign (resid 76 and name HA) (resid 61 and name HG1*) 4.15 2.35 2.35 ! 0.9733 2134:20 Long 3.17, 5.81 A assign (resid 82 and name HA) (resid 82 and name HG2*) 3.15 1.35 1.35 ! 0.9853 2135:20 Intra 2.43, 3.13 A assign (resid 108 and name HA) (resid 107 and name HG1*) 3.65 1.85 1.85 ! 0.4512 2136:20 Ambig 3.80, 4.89 A or (resid 109 and name HA) (resid 107 and name HG1*) ! 0.2685 2136:20 ----- 4.15, 5.20 A or (resid 63 and name HA) (resid 107 and name HG1*) ! 0.2429 2136:20 ----- 4.22, 5.60 A assign (resid 62 and name HA) (resid 107 and name HG1*) 3.65 1.85 1.85 ! 0.7985 2137:20 Ambig 4.32, 5.09 A or (resid 98 and name HA2) (resid 107 and name HG1*) ! 0.2015 2137:20 ----- 5.43, 6.58 A assign (resid 97 and name HA) (resid 88 and name HG2*) 3.65 1.85 1.85 ! 0.8967 2138:20 Ambig 3.23, 4.84 A or (resid 86 and name HA) (resid 88 and name HG2*) ! 0.0871 2138:20 ----- 4.76, 6.35 A assign (resid 52 and name HA) (resid 52 and name HG2*) 2.65 0.85 0.85 ! 0.8663 2139:20 Ambig 2.34, 3.02 A or (resid 87 and name HA) (resid 88 and name HG2*) ! 0.0751 2139:20 ----- 3.52, 4.73 A assign (resid 100 and name HA) (resid 107 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2140:20 Long 3.43, 5.09 A assign (resid 96 and name HA) (resid 111 and name HG1*) 3.65 1.85 1.85 ! 0.4986 2141:20 Ambig 4.08, 5.18 A or (resid 109 and name HA) (resid 111 and name HG1*) ! 0.3564 2141:20 ----- 4.31, 5.37 A or (resid 97 and name HA) (resid 111 and name HG1*) ! 0.1064 2141:20 ----- 5.27, 6.09 A assign (resid 126 and name HA) (resid 112 and name HG2) 3.65 1.85 1.85 ! 0.0000 2145:20 Long 3.68, 4.27 A assign (resid 91 and name HA) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.9981 2150:20 Long 2.53, 4.05 A assign (resid 44 and name HA) (resid 44 and name HG2*) 2.65 0.85 0.85 ! 0.5424 2151:20 Ambig 2.35, 2.99 A or (resid 44 and name HB) (resid 44 and name HG2*) ! 0.4553 2151:20 ----- 2.42, 2.64 A assign (resid 107 and name HA) (resid 62 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2155:20 Long 4.42, 6.74 A assign (resid 62 and name HB) (resid 62 and name HG2*) 2.65 0.85 0.85 ! 0.9456 2156:20 Intra 2.39, 2.64 A assign (resid 73 and name HA) (resid 73 and name HG1*) 2.30 0.50 0.50 ! 0.3720 2159:20 Ambig 2.44, 3.39 A or (resid 73 and name HA) (resid 73 and name HG2*) ! 0.3516 2159:20 ----- 2.47, 3.53 A or (resid 73 and name HA) (resid 61 and name HG2*) ! 0.0805 2159:20 ----- 3.15, 4.90 A or (resid 74 and name HA2) (resid 73 and name HG1*) ! 0.0795 2159:20 ----- 3.16, 5.52 A or (resid 74 and name HA2) (resid 73 and name HG2*) ! 0.0536 2159:20 ----- 3.38, 5.02 A assign (resid 27 and name HA) (resid 27 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2162:20 Intra 2.36, 3.22 A assign (resid 11 and name HB) (resid 11 and name HG2*) 2.30 0.50 0.50 ! 0.0000 2163:20 Intra 2.44, 2.65 A assign (resid 54 and name HA) (resid 82 and name HG2*) 2.65 0.85 0.85 ! 0.8242 2164:20 Ambig 2.49, 4.49 A or (resid 81 and name HA) (resid 82 and name HG2*) ! 0.0621 2164:20 ----- 3.84, 6.37 A or (resid 60 and name HA) (resid 61 and name HG1*) ! 0.0559 2164:20 ----- 3.90, 5.00 A assign (resid 27 and name HB) (resid 27 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2165:20 Intra 2.40, 2.65 A assign (resid 61 and name HA) (resid 61 and name HG1*) 2.65 0.85 0.85 ! 0.9790 2166:20 Intra 2.48, 3.79 A assign (resid 39 and name HA) (resid 39 and name HG2) 3.65 1.85 1.85 ! 0.0000 2168:20 Intra 2.94, 3.10 A assign (resid 107 and name HA) (resid 107 and name HG1*) 3.15 1.35 1.35 ! 0.9963 2170:20 Intra 2.46, 3.11 A assign (resid 62 and name HB) (resid 107 and name HG1*) 2.65 0.85 0.85 ! 0.9867 2171:20 Long 2.11, 2.78 A assign (resid 69 and name HA) (resid 69 and name HD2*) 2.65 0.85 0.85 ! 0.0000 2173:20 Intra 2.07, 3.34 A assign (resid 84 and name HA) (resid 52 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2175:20 Long 2.66, 3.93 A assign (resid 117 and name HA) (resid 117 and name HG1*) 2.65 0.85 0.85 ! 0.9000 2177:20 Ambig 2.43, 3.08 A or (resid 116 and name HA2) (resid 117 and name HG1*) ! 0.1000 2177:20 ----- 3.51, 5.06 A assign (resid 107 and name HA) (resid 107 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2179:20 Intra 2.48, 3.18 A assign (resid 39 and name HA) (resid 39 and name HG1) 3.15 1.35 1.35 ! 0.0000 2180:20 Intra 2.44, 2.54 A assign (resid 43 and name HA1) (resid 39 and name HG1) 3.65 1.85 1.85 ! 0.0000 2181:20 Mid 4.42, 4.86 A assign (resid 111 and name HA) (resid 111 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2182:20 Intra 2.35, 2.98 A assign (resid 110 and name HA) (resid 111 and name HG1*) 4.15 2.35 2.35 ! 0.7329 2183:20 Ambig 4.57, 5.62 A or (resid 110 and name HD1) (resid 111 and name HG1*) ! 0.2671 2183:20 ----- 5.40, 6.47 A assign (resid 112 and name HD2) (resid 112 and name HG2) 3.65 1.85 1.85 ! 0.0000 2186:20 Intra 2.41, 2.95 A assign (resid 112 and name HA) (resid 112 and name HG2) 3.65 1.85 1.85 ! 0.0000 2187:20 Intra 2.96, 3.70 A assign (resid 46 and name HB2) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2188:20 Mid 4.67, 5.80 A assign (resid 112 and name HD2) (resid 112 and name HG1) 3.65 1.85 1.85 ! 0.0000 2189:20 Intra 2.26, 2.43 A assign (resid 110 and name HD2) (resid 62 and name HG2*) 3.65 1.85 1.85 ! 0.9417 2190:20 Long 2.29, 3.79 A assign (resid 63 and name HD1) (resid 73 and name HG1*) 3.65 1.85 1.85 ! 0.5813 2193:20 Ambig 2.56, 4.82 A or (resid 63 and name HD1) (resid 61 and name HG2*) ! 0.2119 2193:20 ----- 3.03, 5.34 A or (resid 63 and name HD1) (resid 73 and name HG2*) ! 0.2068 2193:20 ----- 3.04, 5.42 A assign (resid 28 and name HD2) (resid 27 and name HG2*) 3.65 1.85 1.85 ! 0.7962 2194:20 Ambig 2.34, 4.23 A or (resid 26 and name HB*) (resid 27 and name HG2*) ! 0.2038 2194:20 ----- 2.94, 6.95 A assign (resid 125 and name HA) (resid 125 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2195:20 Intra 2.48, 3.13 A assign (resid 82 and name HB) (resid 82 and name HG2*) 2.65 0.85 0.85 ! 0.9879 2196:20 Intra 2.44, 2.65 A assign (resid 28 and name HD1) (resid 27 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2197:20 Seq 3.74, 4.89 A assign (resid 43 and name HA2) (resid 39 and name HG2) 3.65 1.85 1.85 ! 0.0000 2200:20 Mid 2.50, 3.38 A assign (resid 68 and name HB2) (resid 69 and name HD2*) 4.15 2.35 2.35 ! 0.0000 2202:20 Seq 4.99, 6.69 A assign (resid 52 and name HB) (resid 52 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2203:20 Intra 2.44, 2.65 A assign (resid 116 and name HA1) (resid 117 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2204:20 Seq 4.43, 5.80 A assign (resid 48 and name HD2) (resid 47 and name HG2) 4.15 2.35 2.35 ! 0.0000 2205:20 Seq 4.55, 5.22 A assign (resid 48 and name HD2) (resid 47 and name HG1) 3.65 1.85 1.85 ! 0.0000 2206:20 Seq 3.26, 4.17 A assign (resid 43 and name HA2) (resid 39 and name HG1) 3.65 1.85 1.85 ! 0.0000 2207:20 Mid 3.04, 3.34 A assign (resid 109 and name HB2) (resid 111 and name HG1*) 3.65 1.85 1.85 ! 0.9596 2208:20 Mid 3.85, 4.60 A assign (resid 112 and name HD1) (resid 112 and name HG2) 3.65 1.85 1.85 ! 0.0000 2209:20 Intra 2.34, 2.53 A assign (resid 89 and name HB2) (resid 44 and name HG2*) 2.65 0.85 0.85 ! 0.9343 2210:20 Long 1.90, 3.56 A assign (resid 89 and name HB1) (resid 44 and name HG2*) 3.15 1.35 1.35 ! 0.9985 2211:20 Long 1.97, 2.63 A assign (resid 109 and name HB2) (resid 62 and name HG2*) 3.65 1.85 1.85 ! 0.7710 2212:20 Ambig 2.08, 2.99 A or (resid 112 and name HA) (resid 112 and name HG1) ! 0.2270 2212:20 ----- 2.55, 3.56 A assign (resid 109 and name HB1) (resid 62 and name HG2*) 3.15 1.35 1.35 ! 0.9312 2213:20 Long 3.69, 4.54 A assign (resid 63 and name HG2) (resid 61 and name HG2*) 3.65 1.85 1.85 ! 0.4453 2215:20 Ambig 4.25, 6.21 A or (resid 63 and name HG2) (resid 73 and name HG1*) ! 0.2146 2215:20 ----- 4.80, 7.11 A or (resid 63 and name HG2) (resid 73 and name HG2*) ! 0.1867 2215:20 ----- 4.92, 7.61 A or (resid 72 and name HB2) (resid 73 and name HG2*) ! 0.0811 2215:20 ----- 5.65, 6.91 A assign (resid 39 and name HE1) (resid 39 and name HG2) 3.15 1.35 1.35 ! 0.5021 2217:20 Ambig 2.41, 2.95 A or (resid 39 and name HE2) (resid 39 and name HG2) ! 0.4979 2217:20 ----- 2.42, 2.85 A assign (resid 109 and name HB2) (resid 107 and name HG1*) 3.65 1.85 1.85 ! 0.8979 2218:20 Ambig 3.77, 4.92 A or (resid 63 and name HD1) (resid 107 and name HG1*) ! 0.0483 2218:20 ----- 6.13, 7.49 A assign (resid 109 and name HB1) (resid 107 and name HG1*) 3.65 1.85 1.85 ! 0.6478 2219:20 Ambig 5.17, 6.39 A or (resid 105 and name HB2) (resid 107 and name HG1*) ! 0.3522 2219:20 ----- 5.73, 7.38 A assign (resid 68 and name HB1) (resid 69 and name HD2*) 3.65 1.85 1.85 ! 0.8943 2220:20 Ambig 3.86, 5.82 A or (resid 63 and name HG2) (resid 69 and name HD2*) ! 0.1057 2220:20 ----- 5.51, 7.87 A assign (resid 87 and name HG2) (resid 88 and name HG1*) 4.15 2.35 2.35 ! 0.5653 2222:20 Ambig 5.87, 6.66 A or (resid 87 and name HG1) (resid 88 and name HG1*) ! 0.2680 2222:20 ----- 6.65, 7.37 A or (resid 114 and name HB2) (resid 88 and name HG1*) ! 0.1666 2222:20 ----- 7.20, 7.97 A assign (resid 103 and name HB2) (resid 107 and name HG2*) 3.65 1.85 1.85 ! 0.6286 2223:20 Ambig 4.31, 7.29 A or (resid 106 and name HD2) (resid 107 and name HG2*) ! 0.2997 2223:20 ----- 4.88, 6.87 A assign (resid 105 and name HB2) (resid 107 and name HG2*) 3.65 1.85 1.85 ! 0.9929 2224:20 Mid 2.85, 4.52 A assign (resid 105 and name HB1) (resid 107 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2225:20 Mid 2.53, 3.82 A assign (resid 39 and name HE1) (resid 39 and name HG1) 3.65 1.85 1.85 ! 0.0000 2226:20 Intra 2.45, 3.01 A assign (resid 109 and name HB1) (resid 111 and name HG1*) 4.15 2.35 2.35 ! 0.9948 2227:20 Mid 2.27, 3.12 A assign (resid 59 and name HB1) (resid 60 and name HA) 3.65 1.85 1.85 ! 0.0000 2228:20 Seq 5.22, 5.37 A assign (resid 60 and name HB) (resid 60 and name HA) 3.15 1.35 1.35 ! 0.9885 2229:20 Intra 3.03, 3.04 A assign (resid 71 and name HB*) (resid 67 and name HA) 3.65 1.85 1.85 ! 0.7974 2230:20 Ambig 3.43, 3.97 A or (resid 91 and name HG2) (resid 67 and name HA) ! 0.2026 2230:20 ----- 4.32, 4.42 A assign (resid 63 and name HB*) (resid 67 and name HA) 3.15 1.35 1.35 ! 0.6382 2231:20 Ambig 3.24, 3.87 A or (resid 108 and name HB1) (resid 67 and name HA) ! 0.3618 2231:20 ----- 3.57, 3.83 A assign (resid 112 and name HB2) (resid 112 and name HG2) 3.15 1.35 1.35 ! 0.9594 2232:20 Intra 2.99, 3.01 A assign (resid 108 and name HB1) (resid 44 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2233:20 Long 6.13, 7.24 A assign (resid 91 and name HB1) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2234:20 Long 3.55, 4.63 A assign (resid 77 and name HB2) (resid 62 and name HG2*) 3.15 1.35 1.35 ! 0.9100 2238:20 Long 2.33, 3.06 A assign (resid 73 and name HB) (resid 73 and name HG1*) 2.30 0.50 0.50 ! 0.3583 2240:20 Ambig 2.37, 2.62 A or (resid 73 and name HB) (resid 61 and name HG2*) ! 0.3259 2240:20 ----- 2.41, 4.97 A or (resid 73 and name HB) (resid 73 and name HG2*) ! 0.3159 2240:20 ----- 2.42, 2.64 A assign (resid 125 and name HB) (resid 125 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2242:20 Intra 2.42, 2.64 A assign (resid 61 and name HB) (resid 61 and name HG1*) 2.30 0.50 0.50 ! 0.9859 2243:20 Intra 2.37, 2.62 A assign (resid 131 and name HB2) (resid 52 and name HG2*) 3.65 1.85 1.85 ! 0.7808 2245:20 Ambig 3.60, 4.71 A or (resid 131 and name HB2) (resid 82 and name HG2*) ! 0.0968 2245:20 ----- 5.10, 6.49 A or (resid 63 and name HG1) (resid 61 and name HG1*) ! 0.0655 2245:20 ----- 5.44, 7.90 A assign (resid 126 and name HB*) (resid 125 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2246:20 Seq 6.64, 7.78 A assign (resid 126 and name HB*) (resid 125 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2248:20 Seq 6.64, 7.78 A assign (resid 131 and name HD*) (resid 82 and name HG2*) 3.65 1.85 1.85 ! 0.5349 2250:20 Ambig 4.27, 7.08 A or (resid 54 and name HB) (resid 82 and name HG2*) ! 0.3859 2250:20 ----- 4.51, 6.07 A assign (resid 77 and name HB2) (resid 107 and name HG1*) 3.65 1.85 1.85 ! 0.4888 2253:20 Ambig 4.60, 5.74 A or (resid 63 and name HB*) (resid 107 and name HG1*) ! 0.3247 2253:20 ----- 4.93, 6.47 A or (resid 108 and name HB1) (resid 107 and name HG1*) ! 0.1864 2253:20 ----- 5.41, 6.38 A assign (resid 64 and name HB) (resid 107 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2254:20 Long 4.84, 6.64 A assign (resid 88 and name HB) (resid 88 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2256:20 Intra 2.39, 2.63 A assign (resid 69 and name HG) (resid 69 and name HD2*) 2.30 0.50 0.50 ! 0.5332 2257:20 Ambig 2.40, 2.64 A or (resid 69 and name HB2) (resid 69 and name HD2*) ! 0.4397 2257:20 ----- 2.48, 3.53 A assign (resid 88 and name HB) (resid 88 and name HG1*) 2.65 0.85 0.85 ! 0.9702 2260:20 Intra 2.42, 2.63 A assign (resid 131 and name HD*) (resid 52 and name HG2*) 3.15 1.35 1.35 ! 0.4773 2261:20 Ambig 3.08, 6.04 A or (resid 131 and name HB1) (resid 52 and name HG2*) ! 0.4594 2261:20 ----- 3.10, 5.01 A assign (resid 118 and name HD1) (resid 117 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2263:20 Seq 3.69, 4.83 A assign (resid 119 and name HG1) (resid 33 and name HG1*) 4.15 2.35 2.35 ! 0.9146 2265:20 Long 2.07, 7.22 A assign (resid 47 and name HE*) (resid 47 and name HG2) 3.15 1.35 1.35 ! 0.9894 2266:20 Intra 2.51, 3.10 A assign (resid 47 and name HE*) (resid 47 and name HG1) 3.15 1.35 1.35 ! 0.9706 2267:20 Intra 2.36, 3.05 A assign (resid 88 and name HB) (resid 47 and name HG2) 3.15 1.35 1.35 ! 0.0000 2268:20 Long 2.23, 2.68 A assign (resid 88 and name HB) (resid 47 and name HG1) 3.65 1.85 1.85 ! 0.0000 2269:20 Long 1.92, 2.84 A assign (resid 64 and name HB) (resid 107 and name HG2*) 3.65 1.85 1.85 ! 0.6745 2270:20 Ambig 4.59, 6.43 A or (resid 106 and name HB1) (resid 107 and name HG2*) ! 0.2610 2270:20 ----- 5.38, 6.22 A assign (resid 101 and name HB*) (resid 107 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2271:20 Long 2.21, 3.71 A assign (resid 111 and name HB) (resid 111 and name HG1*) 2.65 0.85 0.85 ! 0.0000 2272:20 Intra 2.38, 2.61 A assign (resid 60 and name HG2*) (resid 60 and name HA) 2.65 0.85 0.85 ! 0.9703 2274:20 Intra 2.46, 3.09 A assign (resid 60 and name HG11) (resid 60 and name HA) 2.65 0.85 0.85 ! 0.8039 2275:20 Ambig 3.09, 3.12 A or (resid 61 and name HG1*) (resid 60 and name HA) ! 0.1961 2275:20 ----- 3.90, 5.00 A assign (resid 67 and name HG1) (resid 67 and name HA) 4.15 2.35 2.35 ! 0.0000 2276:20 Intra 3.45, 3.79 A assign (resid 90 and name HB) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2282:20 Long 4.50, 5.39 A assign (resid 67 and name HG1) (resid 44 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2283:20 Long 2.39, 3.90 A assign (resid 107 and name HG1*) (resid 62 and name HG2*) 3.15 1.35 1.35 ! 0.9833 2284:20 Long 1.99, 4.27 A assign (resid 54 and name HG2*) (resid 82 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2286:20 Long 1.97, 4.09 A assign (resid 39 and name HD1) (resid 39 and name HG2) 2.65 0.85 0.85 ! 0.9981 2287:20 Intra 2.36, 2.63 A assign (resid 62 and name HG2*) (resid 107 and name HG1*) 2.65 0.85 0.85 ! 0.8122 2288:20 Ambig 1.99, 4.27 A or (resid 64 and name HG12) (resid 107 and name HG1*) ! 0.1869 2288:20 ----- 2.54, 4.51 A assign (resid 47 and name HB2) (resid 47 and name HG1) 2.30 0.50 0.50 ! 0.9927 2295:20 Intra 2.43, 2.51 A assign (resid 39 and name HD2) (resid 39 and name HG1) 3.15 1.35 1.35 ! 0.0000 2297:20 Intra 2.35, 2.49 A assign (resid 39 and name HD1) (resid 39 and name HG1) 3.15 1.35 1.35 ! 0.9922 2298:20 Intra 2.44, 2.78 A assign (resid 95 and name HG12) (resid 111 and name HG1*) 3.65 1.85 1.85 ! 0.4536 2300:20 Ambig 5.46, 6.68 A or (resid 112 and name HB1) (resid 111 and name HG1*) ! 0.2639 2300:20 ----- 5.98, 6.33 A or (resid 77 and name HB1) (resid 111 and name HG1*) ! 0.1965 2300:20 ----- 6.28, 7.35 A assign (resid 111 and name HG2*) (resid 112 and name HG2) 4.15 2.35 2.35 ! 0.0000 2304:20 Seq 2.08, 3.82 A assign (resid 83 and name HG2*) (resid 82 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2306:20 Seq 6.42, 7.90 A assign (resid 47 and name HG1) (resid 88 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2309:20 Long 3.22, 4.56 A assign (resid 47 and name HG2) (resid 88 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2310:20 Long 4.19, 4.98 A assign (resid 97 and name HG2*) (resid 88 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2311:20 Long 2.19, 5.09 A assign (resid 47 and name HD1) (resid 88 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2312:20 Long 3.61, 6.19 A assign (resid 47 and name HG2) (resid 88 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2313:20 Long 3.48, 4.46 A assign (resid 47 and name HG1) (resid 88 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2314:20 Long 3.87, 5.14 A assign (resid 97 and name HG2*) (resid 88 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2315:20 Long 2.74, 5.27 A assign (resid 47 and name HD1) (resid 47 and name HG2) 3.15 1.35 1.35 ! 0.9981 2318:20 Intra 2.34, 2.44 A assign (resid 47 and name HD1) (resid 47 and name HG1) 3.15 1.35 1.35 ! 0.0000 2319:20 Intra 2.44, 2.90 A assign (resid 97 and name HG2*) (resid 111 and name HG1*) 2.65 0.85 0.85 ! 0.0000 2322:20 Long 2.55, 4.18 A assign (resid 67 and name HB*) (resid 67 and name HA) 2.65 0.85 0.85 ! 0.0000 2324:20 Intra 2.27, 2.53 A assign (resid 67 and name HB*) (resid 44 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2325:20 Long 2.37, 4.13 A assign (resid 39 and name HB1) (resid 39 and name HG2) 3.15 1.35 1.35 ! 0.0000 2326:20 Intra 2.39, 2.44 A assign (resid 90 and name HD1*) (resid 88 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2328:20 Mid 4.36, 6.14 A assign (resid 118 and name HG1) (resid 117 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2329:20 Seq 5.28, 6.84 A assign (resid 39 and name HB1) (resid 39 and name HG1) 3.15 1.35 1.35 ! 0.0000 2330:20 Intra 3.01, 3.01 A assign (resid 127 and name HE1) (resid 125 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2331:20 Mid 2.63, 3.80 A assign (resid 53 and name HN) (resid 51 and name HB*) 4.15 2.35 2.35 ! 0.0000 2332:20 Mid 5.78, 6.46 A assign (resid 131 and name HN) (resid 51 and name HB*) 3.65 1.85 1.85 ! 0.0000 2333:20 Long 3.69, 4.96 A assign (resid 53 and name HN) (resid 84 and name HG2*) 3.65 1.85 1.85 ! 0.7917 2334:20 Ambig 4.93, 6.04 A or (resid 53 and name HN) (resid 84 and name HG1*) ! 0.2083 2334:20 ----- 6.16, 6.78 A assign (resid 83 and name HN) (resid 54 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2337:20 Long 4.07, 5.22 A assign (resid 131 and name HN) (resid 54 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2338:20 Long 3.92, 5.44 A assign (resid 83 and name HN) (resid 54 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2339:20 Long 4.95, 6.15 A assign (resid 101 and name HN) (resid 101 and name HB*) 2.65 0.85 0.85 ! 0.9938 2340:20 Intra 2.46, 2.93 A assign (resid 126 and name HN) (resid 126 and name HB*) 2.65 0.85 0.85 ! 0.0000 2341:20 Intra 2.44, 2.98 A assign (resid 102 and name HN) (resid 101 and name HB*) 3.15 1.35 1.35 ! 0.9844 2342:20 Seq 1.96, 3.10 A assign (resid 79 and name HN) (resid 81 and name HB*) 4.15 2.35 2.35 ! 0.0000 2343:20 Mid 4.96, 6.00 A assign (resid 82 and name HN) (resid 81 and name HB*) 3.15 1.35 1.35 ! 0.9922 2344:20 Seq 2.76, 3.77 A assign (resid 127 and name HN) (resid 126 and name HB*) 3.15 1.35 1.35 ! 0.9777 2345:20 Seq 2.79, 3.71 A assign (resid 85 and name HN) (resid 51 and name HB*) 3.65 1.85 1.85 ! 0.0000 2346:20 Long 4.55, 5.36 A assign (resid 126 and name HN) (resid 125 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2347:20 Seq 2.80, 3.64 A assign (resid 61 and name HN) (resid 60 and name HG2*) 3.15 1.35 1.35 ! 0.5820 2348:20 Ambig 2.75, 3.57 A or (resid 111 and name HN) (resid 60 and name HG2*) ! 0.4180 2348:20 ----- 2.90, 4.07 A assign (resid 29 and name HN) (resid 29 and name HB*) 3.65 1.85 1.85 ! 0.5109 2349:20 Ambig 2.43, 3.06 A or (resid 3 and name HN) (resid 3 and name HB*) ! 0.4891 2349:20 ----- 2.45, 3.15 A assign (resid 85 and name HN) (resid 84 and name HG2*) 2.65 0.85 0.85 ! 0.9417 2351:20 Seq 2.59, 3.51 A assign (resid 130 and name HN) (resid 129 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2352:20 Seq 4.35, 4.97 A assign (resid 129 and name HN) (resid 129 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2353:20 Intra 2.59, 3.50 A assign (resid 34 and name HN) (resid 33 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2354:20 Seq 2.46, 4.62 A assign (resid 18 and name HN) (resid 17 and name HG1*) 3.65 1.85 1.85 ! 0.5752 2357:20 Ambig 1.98, 4.55 A or (resid 18 and name HN) (resid 17 and name HG2*) ! 0.4248 2357:20 ----- 2.09, 4.43 A assign (resid 130 and name HN) (resid 129 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2358:20 Seq 2.45, 3.37 A assign (resid 33 and name HN) (resid 33 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2359:20 Intra 1.96, 3.68 A assign (resid 17 and name HN) (resid 17 and name HG2*) 3.65 1.85 1.85 ! 0.3531 2360:20 Ambig 2.10, 3.63 A or (resid 17 and name HN) (resid 17 and name HG1*) ! 0.3484 2360:20 ----- 2.10, 4.05 A or (resid 17 and name HN) (resid 16 and name HG1*) ! 0.1708 2360:20 ----- 2.36, 4.50 A or (resid 17 and name HN) (resid 16 and name HG2*) ! 0.1277 2360:20 ----- 2.48, 4.69 A assign (resid 129 and name HN) (resid 129 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2361:20 Intra 4.33, 4.64 A assign (resid 55 and name HN) (resid 54 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2362:20 Seq 4.58, 5.19 A assign (resid 54 and name HN) (resid 54 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2363:20 Intra 2.42, 3.41 A assign (resid 129 and name HN) (resid 54 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2364:20 Long 4.46, 5.41 A assign (resid 129 and name HN) (resid 54 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2365:20 Long 4.01, 5.01 A assign (resid 55 and name HN) (resid 54 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2366:20 Seq 3.04, 3.92 A assign (resid 54 and name HN) (resid 54 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2367:20 Intra 4.35, 4.63 A assign (resid 50 and name HN) (resid 49 and name HA) 2.65 0.85 0.85 ! 0.9988 2368:20 Seq 2.06, 2.15 A assign (resid 49 and name HN) (resid 49 and name HA) 3.15 1.35 1.35 ! 0.0000 2369:20 Intra 2.78, 2.84 A assign (resid 117 and name HN) (resid 117 and name HA) 3.65 1.85 1.85 ! 0.9689 2370:20 Intra 2.86, 2.89 A assign (resid 45 and name HD1) (resid 117 and name HA) 4.15 2.35 2.35 ! 0.7300 2371:20 Ambig 4.65, 5.21 A or (resid 45 and name HZ2) (resid 117 and name HA) ! 0.2700 2371:20 ----- 5.49, 6.85 A assign (resid 43 and name HN) (resid 41 and name HA) 3.65 1.85 1.85 ! 0.0000 2372:20 Mid 3.14, 3.42 A assign (resid 42 and name HN) (resid 41 and name HA) 3.65 1.85 1.85 ! 0.9771 2373:20 Seq 3.21, 3.39 A assign (resid 80 and name HN) (resid 81 and name HB*) 3.15 1.35 1.35 ! 0.0000 2375:20 Seq 4.41, 5.16 A assign (resid 130 and name HD*) (resid 126 and name HB*) 4.15 2.35 2.35 ! 0.0000 2376:20 Mid 3.40, 6.07 A assign (resid 103 and name HN) (resid 101 and name HB*) 3.65 1.85 1.85 ! 0.0000 2377:20 Mid 2.61, 3.52 A assign (resid 81 and name HN) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.0000 2378:20 Intra 2.49, 2.93 A assign (resid 104 and name HN) (resid 101 and name HB*) 3.65 1.85 1.85 ! 0.0000 2379:20 Mid 3.41, 4.53 A assign (resid 105 and name HN) (resid 101 and name HB*) 3.15 1.35 1.35 ! 0.0000 2380:20 Mid 2.43, 4.17 A assign (resid 52 and name HN) (resid 51 and name HB*) 2.65 0.85 0.85 ! 0.0000 2381:20 Seq 2.14, 3.11 A assign (resid 130 and name HD*) (resid 51 and name HB*) 3.65 1.85 1.85 ! 0.8034 2382:20 Ambig 4.43, 7.16 A or (resid 50 and name HD21) (resid 51 and name HB*) ! 0.1966 2382:20 ----- 5.60, 7.24 A assign (resid 60 and name HN) (resid 60 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2383:20 Intra 4.38, 4.65 A assign (resid 127 and name HE3) (resid 60 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2384:20 Long 2.69, 4.27 A assign (resid 50 and name HD21) (resid 84 and name HG2*) 3.65 1.85 1.85 ! 0.9642 2385:20 Long 2.61, 4.17 A assign (resid 84 and name HN) (resid 84 and name HG1*) 3.15 1.35 1.35 ! 0.9778 2387:20 Intra 1.98, 2.94 A assign (resid 80 and name HN) (resid 54 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2388:20 Long 4.09, 5.58 A assign (resid 55 and name HD22) (resid 81 and name HB*) 4.15 2.35 2.35 ! 0.0000 2389:20 Long 5.10, 6.29 A assign (resid 99 and name HD*) (resid 101 and name HB*) 3.65 1.85 1.85 ! 0.8149 2390:20 Ambig 3.09, 6.29 A or (resid 103 and name HD22) (resid 101 and name HB*) ! 0.1851 2390:20 ----- 3.96, 6.62 A assign (resid 128 and name HN) (resid 126 and name HB*) 3.15 1.35 1.35 ! 0.0000 2391:20 Mid 2.41, 3.39 A assign (resid 102 and name HD*) (resid 101 and name HB*) 3.65 1.85 1.85 ! 0.0000 2392:20 Seq 2.46, 5.39 A assign (resid 130 and name HE*) (resid 126 and name HB*) 3.15 1.35 1.35 ! 0.9988 2393:20 Mid 1.98, 5.06 A assign (resid 130 and name HZ) (resid 126 and name HB*) 3.65 1.85 1.85 ! 0.0000 2394:20 Mid 3.53, 4.96 A assign (resid 99 and name HE*) (resid 101 and name HB*) 3.65 1.85 1.85 ! 0.0000 2395:20 Mid 2.29, 5.82 A assign (resid 51 and name HN) (resid 51 and name HB*) 3.15 1.35 1.35 ! 0.0000 2396:20 Intra 2.81, 3.42 A assign (resid 85 and name HE*) (resid 51 and name HB*) 3.15 1.35 1.35 ! 0.0000 2397:20 Long 2.37, 4.15 A assign (resid 127 and name HD1) (resid 125 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2398:20 Mid 2.86, 4.16 A assign (resid 127 and name HZ3) (resid 60 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2399:20 Long 3.58, 4.89 A assign (resid 51 and name HN) (resid 84 and name HG2*) 3.65 1.85 1.85 ! 0.9658 2400:20 Long 3.39, 4.15 A assign (resid 50 and name HA) (resid 49 and name HA) 3.65 1.85 1.85 ! 0.6095 2402:20 Ambig 4.31, 4.35 A or (resid 86 and name HA) (resid 49 and name HA) ! 0.3905 2402:20 ----- 4.64, 5.23 A assign (resid 87 and name HA) (resid 49 and name HA) 4.15 2.35 2.35 ! 0.0000 2403:20 Long 4.81, 5.52 A assign (resid 82 and name HA) (resid 81 and name HB*) 3.65 1.85 1.85 ! 0.0000 2405:20 Seq 4.45, 5.14 A assign (resid 127 and name HA) (resid 126 and name HB*) 3.65 1.85 1.85 ! 0.0000 2406:20 Seq 4.61, 5.09 A assign (resid 77 and name HA) (resid 81 and name HB*) 3.65 1.85 1.85 ! 0.0000 2407:20 Mid 4.39, 5.00 A assign (resid 100 and name HA) (resid 101 and name HB*) 3.65 1.85 1.85 ! 0.0000 2408:20 Seq 4.36, 4.90 A assign (resid 50 and name HA) (resid 51 and name HB*) 3.65 1.85 1.85 ! 0.7577 2409:20 Ambig 4.49, 4.97 A or (resid 86 and name HA) (resid 51 and name HB*) ! 0.1736 2409:20 ----- 5.74, 7.10 A assign (resid 52 and name HA) (resid 51 and name HB*) 3.65 1.85 1.85 ! 0.0000 2410:20 Seq 4.62, 5.08 A assign (resid 127 and name HA) (resid 125 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2411:20 Mid 3.90, 4.97 A assign (resid 109 and name HA) (resid 60 and name HG2*) 3.65 1.85 1.85 ! 0.8318 2412:20 Ambig 4.05, 4.89 A or (resid 76 and name HA) (resid 60 and name HG2*) ! 0.1682 2412:20 ----- 5.28, 6.56 A assign (resid 62 and name HA) (resid 60 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2413:20 Mid 3.29, 4.72 A assign (resid 50 and name HA) (resid 84 and name HG2*) 3.65 1.85 1.85 ! 0.3259 2414:20 Ambig 3.77, 4.79 A or (resid 85 and name HA) (resid 84 and name HG2*) ! 0.2608 2414:20 ----- 3.91, 5.07 A or (resid 85 and name HA) (resid 84 and name HG1*) ! 0.2158 2414:20 ----- 4.04, 5.25 A or (resid 86 and name HA) (resid 84 and name HG2*) ! 0.1473 2414:20 ----- 4.30, 5.61 A assign (resid 52 and name HA) (resid 84 and name HG2*) 3.65 1.85 1.85 ! 0.9713 2416:20 Long 2.87, 4.18 A assign (resid 130 and name HA) (resid 54 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2417:20 Long 4.15, 5.75 A assign (resid 53 and name HA) (resid 54 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2418:20 Seq 3.57, 4.67 A assign (resid 82 and name HA) (resid 54 and name HG2*) 3.65 1.85 1.85 ! 0.9885 2419:20 Long 2.64, 4.12 A assign (resid 82 and name HA) (resid 54 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2420:20 Long 3.01, 4.38 A assign (resid 42 and name HA) (resid 41 and name HA) 3.65 1.85 1.85 ! 0.8945 2423:20 Ambig 4.48, 4.65 A or (resid 39 and name HA) (resid 41 and name HA) ! 0.1055 2423:20 ----- 6.40, 6.79 A assign (resid 121 and name HA) (resid 117 and name HA) 4.15 2.35 2.35 ! 0.8109 2424:20 Ambig 4.87, 5.55 A or (resid 119 and name HA) (resid 117 and name HA) ! 0.1891 2424:20 ----- 6.21, 6.37 A assign (resid 81 and name HA) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.9294 2435:20 Intra 2.42, 2.63 A assign (resid 101 and name HA) (resid 101 and name HB*) 2.65 0.85 0.85 ! 0.9774 2437:20 Intra 2.43, 2.64 A assign (resid 126 and name HA) (resid 126 and name HB*) 2.65 0.85 0.85 ! 0.9947 2438:20 Intra 2.43, 2.64 A assign (resid 51 and name HA) (resid 51 and name HB*) 2.65 0.85 0.85 ! 0.9747 2441:20 Intra 2.43, 2.65 A assign (resid 49 and name HA) (resid 51 and name HB*) 4.15 2.35 2.35 ! 0.6227 2442:20 Ambig 5.32, 6.59 A or (resid 85 and name HB2) (resid 51 and name HB*) ! 0.3773 2442:20 ----- 5.78, 7.06 A assign (resid 126 and name HA) (resid 125 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2444:20 Seq 4.02, 5.02 A assign (resid 60 and name HA) (resid 60 and name HG2*) 2.65 0.85 0.85 ! 0.9846 2446:20 Intra 2.46, 3.09 A assign (resid 29 and name HA) (resid 29 and name HB*) 2.65 0.85 0.85 ! 0.5014 2448:20 Ambig 2.41, 2.64 A or (resid 25 and name HA) (resid 25 and name HB*) ! 0.4847 2448:20 ----- 2.42, 2.64 A assign (resid 129 and name HA) (resid 129 and name HG2*) 3.15 1.35 1.35 ! 0.9109 2449:20 Intra 2.55, 3.18 A assign (resid 33 and name HA) (resid 33 and name HG1*) 2.65 0.85 0.85 ! 0.0000 2450:20 Intra 2.41, 3.39 A assign (resid 16 and name HA) (resid 16 and name HG1*) 3.15 1.35 1.35 ! 0.2748 2451:20 Ambig 2.38, 3.29 A or (resid 17 and name HA) (resid 17 and name HG1*) ! 0.2458 2451:20 ----- 2.42, 3.31 A or (resid 17 and name HA) (resid 17 and name HG2*) ! 0.2102 2451:20 ----- 2.49, 3.44 A or (resid 16 and name HA) (resid 16 and name HG2*) ! 0.1961 2451:20 ----- 2.51, 3.47 A assign (resid 84 and name HA) (resid 84 and name HG2*) 3.15 1.35 1.35 ! 0.9212 2453:20 Intra 2.48, 3.13 A assign (resid 32 and name HA) (resid 33 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2455:20 Seq 3.89, 5.89 A assign (resid 129 and name HA) (resid 129 and name HG1*) 2.65 0.85 0.85 ! 0.9966 2457:20 Intra 2.53, 3.13 A assign (resid 33 and name HA) (resid 33 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2458:20 Intra 2.52, 3.50 A assign (resid 16 and name HA) (resid 16 and name HG1*) 3.15 1.35 1.35 ! 0.2748 2459:20 Ambig 2.38, 3.29 A or (resid 17 and name HA) (resid 17 and name HG1*) ! 0.2458 2459:20 ----- 2.42, 3.31 A or (resid 17 and name HA) (resid 17 and name HG2*) ! 0.2102 2459:20 ----- 2.49, 3.44 A or (resid 16 and name HA) (resid 16 and name HG2*) ! 0.1961 2459:20 ----- 2.51, 3.47 A assign (resid 54 and name HA) (resid 54 and name HG2*) 2.65 0.85 0.85 ! 0.9920 2461:20 Intra 2.57, 3.21 A assign (resid 54 and name HA) (resid 54 and name HG1*) 2.65 0.85 0.85 ! 0.9917 2462:20 Intra 2.47, 3.10 A assign (resid 80 and name HA*) (resid 81 and name HB*) 3.65 1.85 1.85 ! 0.5931 2465:20 Ambig 4.99, 5.80 A or (resid 82 and name HB) (resid 81 and name HB*) ! 0.4069 2465:20 ----- 5.31, 6.17 A assign (resid 78 and name HD2) (resid 81 and name HB*) 3.15 1.35 1.35 ! 0.0000 2466:20 Mid 2.62, 3.57 A assign (resid 125 and name HA) (resid 126 and name HB*) 3.65 1.85 1.85 ! 0.5173 2467:20 Ambig 4.43, 4.90 A or (resid 128 and name HA*) (resid 126 and name HB*) ! 0.4827 2467:20 ----- 4.48, 5.80 A assign (resid 127 and name HB2) (resid 126 and name HB*) 4.15 2.35 2.35 ! 0.7982 2468:20 Ambig 5.15, 6.14 A or (resid 124 and name HA1) (resid 126 and name HB*) ! 0.2018 2468:20 ----- 6.48, 7.61 A assign (resid 112 and name HD2) (resid 126 and name HB*) 3.65 1.85 1.85 ! 0.0000 2469:20 Long 2.15, 4.10 A assign (resid 52 and name HB) (resid 51 and name HB*) 3.65 1.85 1.85 ! 0.0000 2470:20 Seq 4.60, 5.67 A assign (resid 125 and name HA) (resid 125 and name HG1*) 2.65 0.85 0.85 ! 0.0000 2471:20 Intra 2.52, 3.15 A assign (resid 110 and name HD2) (resid 60 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2472:20 Long 2.21, 2.89 A assign (resid 128 and name HA*) (resid 129 and name HG2*) 3.65 1.85 1.85 ! 0.9537 2473:20 Seq 3.25, 4.83 A assign (resid 128 and name HA*) (resid 129 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2475:20 Seq 6.28, 6.72 A assign (resid 119 and name HD1) (resid 33 and name HG2*) 4.15 2.35 2.35 ! 0.6247 2476:20 Ambig 2.10, 5.45 A or (resid 119 and name HD2) (resid 33 and name HG2*) ! 0.3753 2476:20 ----- 2.29, 6.35 A assign (resid 82 and name HB) (resid 54 and name HG2*) 3.15 1.35 1.35 ! 0.8776 2477:20 Ambig 2.53, 5.55 A or (resid 52 and name HB) (resid 54 and name HG2*) ! 0.1194 2477:20 ----- 3.53, 4.77 A assign (resid 82 and name HB) (resid 54 and name HG1*) 3.65 1.85 1.85 ! 0.6842 2478:20 Ambig 2.84, 5.86 A or (resid 80 and name HA*) (resid 54 and name HG1*) ! 0.2929 2478:20 ----- 3.27, 5.26 A assign (resid 50 and name HB*) (resid 49 and name HA) 3.65 1.85 1.85 ! 0.0000 2479:20 Seq 4.34, 4.61 A assign (resid 55 and name HB2) (resid 81 and name HB*) 4.15 2.35 2.35 ! 0.0000 2481:20 Long 2.98, 4.61 A assign (resid 55 and name HB1) (resid 81 and name HB*) 3.65 1.85 1.85 ! 0.0000 2482:20 Long 2.58, 3.97 A assign (resid 78 and name HB2) (resid 81 and name HB*) 3.15 1.35 1.35 ! 0.0000 2483:20 Mid 3.05, 4.66 A assign (resid 102 and name HB1) (resid 101 and name HB*) 3.65 1.85 1.85 ! 0.7183 2484:20 Ambig 4.34, 5.56 A or (resid 102 and name HB2) (resid 101 and name HB*) ! 0.2223 2484:20 ----- 5.27, 6.35 A assign (resid 112 and name HD1) (resid 126 and name HB*) 3.65 1.85 1.85 ! 0.0000 2485:20 Long 2.15, 3.66 A assign (resid 105 and name HB2) (resid 101 and name HB*) 3.65 1.85 1.85 ! 0.0000 2486:20 Mid 2.23, 5.07 A assign (resid 105 and name HB1) (resid 101 and name HB*) 3.65 1.85 1.85 ! 0.0000 2487:20 Mid 2.24, 4.53 A assign (resid 130 and name HB1) (resid 51 and name HB*) 4.15 2.35 2.35 ! 0.9366 2488:20 Long 4.26, 5.31 A assign (resid 50 and name HB*) (resid 51 and name HB*) 3.65 1.85 1.85 ! 0.6901 2489:20 Ambig 5.28, 6.44 A or (resid 85 and name HB1) (resid 51 and name HB*) ! 0.3099 2489:20 ----- 6.04, 7.18 A assign (resid 130 and name HB1) (resid 51 and name HB*) 4.15 2.35 2.35 ! 0.9366 2490:20 Long 4.26, 5.31 A assign (resid 28 and name HB2) (resid 29 and name HB*) 4.15 2.35 2.35 ! 0.0000 2493:20 Seq 4.35, 6.05 A assign (resid 86 and name HB2) (resid 84 and name HG2*) 4.15 2.35 2.35 ! 0.5191 2496:20 Ambig 4.16, 6.37 A or (resid 86 and name HB2) (resid 84 and name HG1*) ! 0.2532 2496:20 ----- 4.68, 6.98 A or (resid 99 and name HB1) (resid 84 and name HG1*) ! 0.1583 2496:20 ----- 5.07, 6.41 A assign (resid 50 and name HB*) (resid 84 and name HG2*) 3.65 1.85 1.85 ! 0.8964 2498:20 Ambig 3.43, 5.55 A or (resid 85 and name HB1) (resid 84 and name HG2*) ! 0.0587 2498:20 ----- 5.40, 6.38 A assign (resid 86 and name HB1) (resid 84 and name HG2*) 4.15 2.35 2.35 ! 0.6765 2500:20 Ambig 4.40, 6.78 A or (resid 86 and name HB1) (resid 84 and name HG1*) ! 0.3235 2500:20 ----- 4.98, 7.29 A assign (resid 86 and name HB1) (resid 84 and name HG2*) 4.15 2.35 2.35 ! 0.6765 2501:20 Ambig 4.40, 6.78 A or (resid 86 and name HB1) (resid 84 and name HG1*) ! 0.3235 2501:20 ----- 4.98, 7.29 A assign (resid 131 and name HE*) (resid 129 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2502:20 Mid 2.25, 5.89 A assign (resid 131 and name HE*) (resid 54 and name HG2*) 3.65 1.85 1.85 ! 0.9988 2504:20 Long 2.31, 5.52 A assign (resid 118 and name HD1) (resid 117 and name HA) 2.65 0.85 0.85 ! 0.9989 2507:20 Seq 1.98, 2.10 A assign (resid 49 and name HB*) (resid 49 and name HA) 2.30 0.50 0.50 ! 0.8031 2508:20 Ambig 2.41, 2.76 A or (resid 49 and name HG2) (resid 49 and name HA) ! 0.1872 2508:20 ----- 3.07, 3.42 A assign (resid 41 and name HB1) (resid 41 and name HA) 2.65 0.85 0.85 ! 0.0000 2509:20 Intra 2.38, 2.66 A assign (resid 41 and name HB2) (resid 41 and name HA) 2.65 0.85 0.85 ! 0.0000 2510:20 Intra 2.41, 2.78 A assign (resid 41 and name HG*) (resid 41 and name HA) 3.15 1.35 1.35 ! 0.0000 2511:20 Intra 2.42, 3.04 A assign (resid 78 and name HG2) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.9965 2514:20 Mid 2.02, 3.12 A assign (resid 78 and name HB1) (resid 81 and name HB*) 3.65 1.85 1.85 ! 0.0000 2515:20 Mid 4.48, 5.76 A assign (resid 49 and name HG2) (resid 51 and name HB*) 3.15 1.35 1.35 ! 0.9637 2517:20 Mid 2.74, 4.31 A assign (resid 49 and name HG1) (resid 51 and name HB*) 3.65 1.85 1.85 ! 0.9313 2518:20 Mid 2.85, 4.86 A assign (resid 125 and name HB) (resid 125 and name HG1*) 2.65 0.85 0.85 ! 0.0000 2519:20 Intra 2.42, 2.64 A assign (resid 126 and name HB*) (resid 125 and name HG1*) 3.65 1.85 1.85 ! 0.0000 2521:20 Seq 4.64, 6.11 A assign (resid 110 and name HG2) (resid 60 and name HG2*) 2.65 0.85 0.85 ! 0.9690 2522:20 Long 2.42, 2.82 A assign (resid 60 and name HB) (resid 60 and name HG2*) 2.65 0.85 0.85 ! 0.9936 2525:20 Intra 2.43, 2.64 A assign (resid 49 and name HB*) (resid 51 and name HB*) 3.65 1.85 1.85 ! 0.7418 2526:20 Ambig 4.74, 6.32 A or (resid 28 and name HB1) (resid 29 and name HB*) ! 0.2027 2526:20 ----- 5.89, 6.92 A assign (resid 33 and name HB) (resid 33 and name HG1*) 2.65 0.85 0.85 ! 0.0000 2527:20 Intra 2.35, 2.62 A assign (resid 54 and name HB) (resid 129 and name HG2*) 3.15 1.35 1.35 ! 0.9461 2528:20 Long 3.54, 4.44 A assign (resid 84 and name HB) (resid 84 and name HG1*) 2.65 0.85 0.85 ! 0.5135 2531:20 Ambig 2.39, 2.62 A or (resid 84 and name HB) (resid 84 and name HG2*) ! 0.4865 2531:20 ----- 2.41, 2.63 A assign (resid 129 and name HB) (resid 129 and name HG2*) 2.65 0.85 0.85 ! 0.9946 2532:20 Intra 2.43, 2.64 A assign (resid 33 and name HB) (resid 33 and name HG2*) 2.65 0.85 0.85 ! 0.9472 2534:20 Intra 2.38, 2.64 A assign (resid 129 and name HB) (resid 129 and name HG1*) 2.65 0.85 0.85 ! 0.5977 2535:20 Ambig 2.42, 2.63 A or (resid 131 and name HB2) (resid 129 and name HG1*) ! 0.4023 2535:20 ----- 2.59, 5.50 A assign (resid 131 and name HD*) (resid 129 and name HG1*) 3.15 1.35 1.35 ! 0.7063 2536:20 Ambig 2.98, 5.68 A or (resid 54 and name HB) (resid 129 and name HG1*) ! 0.1920 2536:20 ----- 3.71, 4.63 A or (resid 131 and name HB1) (resid 129 and name HG1*) ! 0.1017 2536:20 ----- 4.12, 6.30 A assign (resid 131 and name HB2) (resid 54 and name HG2*) 3.15 1.35 1.35 ! 0.8681 2539:20 Ambig 2.46, 4.35 A or (resid 129 and name HB) (resid 54 and name HG2*) ! 0.1319 2539:20 ----- 3.37, 4.29 A assign (resid 54 and name HB) (resid 54 and name HG2*) 2.65 0.85 0.85 ! 0.5263 2540:20 Ambig 2.43, 2.64 A or (resid 131 and name HD*) (resid 54 and name HG2*) ! 0.3520 2540:20 ----- 2.60, 4.90 A or (resid 131 and name HB1) (resid 54 and name HG2*) ! 0.1199 2540:20 ----- 3.11, 5.16 A assign (resid 129 and name HB) (resid 54 and name HG1*) 3.15 1.35 1.35 ! 0.9112 2543:20 Long 3.64, 4.52 A assign (resid 54 and name HB) (resid 54 and name HG1*) 2.65 0.85 0.85 ! 0.9830 2544:20 Intra 2.41, 2.63 A assign (resid 117 and name HB) (resid 117 and name HA) 3.15 1.35 1.35 ! 0.9973 2548:20 Intra 2.51, 2.64 A assign (resid 118 and name HD2) (resid 117 and name HA) 3.15 1.35 1.35 ! 0.0000 2549:20 Seq 2.16, 2.43 A assign (resid 117 and name HG1*) (resid 117 and name HA) 2.65 0.85 0.85 ! 0.9216 2550:20 Intra 2.43, 3.08 A assign (resid 117 and name HG2*) (resid 117 and name HA) 3.65 1.85 1.85 ! 0.0000 2551:20 Intra 2.61, 3.80 A assign (resid 118 and name HB1) (resid 117 and name HA) 4.15 2.35 2.35 ! 0.0000 2553:20 Seq 5.04, 5.49 A assign (resid 131 and name HG*) (resid 54 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2571:20 Long 2.29, 4.90 A assign (resid 131 and name HG*) (resid 54 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2572:20 Long 5.27, 7.51 A assign (resid 82 and name HG2*) (resid 54 and name HG2*) 2.65 0.85 0.85 ! 0.9048 2573:20 Long 1.97, 4.09 A assign (resid 118 and name HG2) (resid 117 and name HA) 3.65 1.85 1.85 ! 0.0000 2577:20 Seq 4.31, 4.41 A assign (resid 83 and name HD1*) (resid 81 and name HB*) 3.65 1.85 1.85 ! 0.9927 2578:20 Mid 2.57, 4.79 A assign (resid 107 and name HG2*) (resid 101 and name HB*) 3.15 1.35 1.35 ! 0.0000 2579:20 Long 2.21, 3.71 A assign (resid 111 and name HG2*) (resid 126 and name HB*) 4.15 2.35 2.35 ! 0.0000 2580:20 Long 5.56, 7.34 A assign (resid 111 and name HG1*) (resid 60 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2581:20 Long 4.16, 6.45 A assign (resid 118 and name HG1) (resid 117 and name HA) 3.65 1.85 1.85 ! 0.5909 2584:20 Ambig 4.15, 4.25 A or (resid 90 and name HD1*) (resid 117 and name HA) ! 0.4091 2584:20 ----- 4.41, 5.65 A assign (resid 110 and name HB1) (resid 60 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2585:20 Long 5.12, 5.51 A assign (resid 127 and name HE1) (resid 112 and name HA) 4.15 2.35 2.35 ! 0.0000 2586:20 Long 5.23, 5.84 A assign (resid 92 and name HN) (resid 92 and name HB*) 3.15 1.35 1.35 ! 0.0000 2588:20 Intra 2.41, 2.89 A assign (resid 96 and name HN) (resid 95 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2590:20 Seq 3.94, 4.86 A assign (resid 96 and name HN) (resid 111 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2591:20 Long 4.58, 5.43 A assign (resid 93 and name HN) (resid 92 and name HB*) 3.65 1.85 1.85 ! 0.0000 2592:20 Seq 3.47, 4.15 A assign (resid 63 and name HN) (resid 71 and name HB*) 4.15 2.35 2.35 ! 0.6733 2593:20 Ambig 5.37, 6.13 A or (resid 65 and name HN) (resid 71 and name HB*) ! 0.3267 2593:20 ----- 6.06, 7.17 A assign (resid 89 and name HN) (resid 95 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2594:20 Long 5.84, 6.78 A assign (resid 90 and name HN) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2595:20 Intra 4.30, 4.67 A assign (resid 65 and name HN) (resid 64 and name HG2*) 3.15 1.35 1.35 ! 0.9962 2596:20 Seq 2.73, 3.61 A assign (resid 83 and name HN) (resid 83 and name HG2*) 3.15 1.35 1.35 ! 0.8987 2597:20 Ambig 4.20, 4.64 A or (resid 109 and name HN) (resid 83 and name HG2*) ! 0.1013 2597:20 ----- 6.05, 7.43 A assign (resid 113 and name HN) (resid 112 and name HA) 3.15 1.35 1.35 ! 0.9881 2598:20 Seq 2.18, 2.28 A assign (resid 127 and name HN) (resid 112 and name HA) 3.65 1.85 1.85 ! 0.9642 2599:20 Long 2.99, 3.32 A assign (resid 91 and name HN) (resid 92 and name HB*) 4.15 2.35 2.35 ! 0.0000 2600:20 Seq 6.06, 6.61 A assign (resid 94 and name HN) (resid 92 and name HB*) 3.65 1.85 1.85 ! 0.6187 2601:20 Ambig 5.40, 5.74 A or (resid 69 and name HN) (resid 92 and name HB*) ! 0.3813 2601:20 ----- 5.85, 7.91 A assign (resid 64 and name HN) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.0000 2602:20 Long 3.82, 4.81 A assign (resid 69 and name HN) (resid 71 and name HB*) 4.15 2.35 2.35 ! 0.8332 2603:20 Ambig 4.58, 5.55 A or (resid 73 and name HN) (resid 71 and name HB*) ! 0.1668 2603:20 ----- 5.99, 6.61 A assign (resid 79 and name HN) (resid 79 and name HB*) 2.65 0.85 0.85 ! 0.0000 2604:20 Intra 2.41, 2.89 A assign (resid 116 and name HN) (resid 117 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2605:20 Seq 4.15, 6.34 A assign (resid 113 and name HN) (resid 95 and name HG2*) 4.15 2.35 2.35 ! 0.5146 2607:20 Ambig 4.77, 6.00 A or (resid 97 and name HN) (resid 95 and name HG2*) ! 0.3662 2607:20 ----- 5.05, 6.30 A or (resid 91 and name HN) (resid 95 and name HG2*) ! 0.1192 2607:20 ----- 6.09, 6.99 A assign (resid 122 and name HN) (resid 122 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2608:20 Intra 4.34, 4.57 A assign (resid 124 and name HN) (resid 122 and name HG2*) 4.15 2.35 2.35 ! 0.8234 2609:20 Ambig 4.59, 6.06 A or (resid 116 and name HN) (resid 122 and name HG2*) ! 0.1075 2609:20 ----- 6.45, 7.48 A assign (resid 111 and name HN) (resid 95 and name HG2*) 4.15 2.35 2.35 ! 0.6000 2610:20 Ambig 5.57, 6.60 A or (resid 94 and name HN) (resid 95 and name HG2*) ! 0.4000 2610:20 ----- 5.96, 7.00 A assign (resid 108 and name HN) (resid 64 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2611:20 Long 4.83, 6.40 A assign (resid 91 and name HN) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.9775 2612:20 Seq 3.02, 3.77 A assign (resid 64 and name HN) (resid 64 and name HG2*) 3.15 1.35 1.35 ! 0.6506 2613:20 Ambig 4.17, 4.60 A or (resid 107 and name HN) (resid 64 and name HG2*) ! 0.3494 2613:20 ----- 4.63, 6.70 A assign (resid 94 and name HN) (resid 90 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2614:20 Mid 4.01, 5.32 A assign (resid 97 and name HN) (resid 111 and name HG2*) 3.65 1.85 1.85 ! 0.9755 2615:20 Long 3.17, 4.27 A assign (resid 85 and name HN) (resid 83 and name HG2*) 3.65 1.85 1.85 ! 0.7677 2616:20 Ambig 3.73, 5.23 A or (resid 100 and name HN) (resid 83 and name HG2*) ! 0.1403 2616:20 ----- 4.95, 6.12 A assign (resid 127 and name HN) (resid 111 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2617:20 Long 5.36, 6.35 A assign (resid 111 and name HN) (resid 111 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2618:20 Intra 3.10, 4.07 A assign (resid 66 and name HN) (resid 66 and name HA) 3.15 1.35 1.35 ! 0.0000 2619:20 Intra 2.86, 2.90 A assign (resid 127 and name HZ2) (resid 112 and name HA) 4.15 2.35 2.35 ! 0.0000 2620:20 Long 4.72, 5.16 A assign (resid 70 and name HN) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.0000 2622:20 Seq 4.07, 4.91 A assign (resid 66 and name HN) (resid 71 and name HB*) 3.15 1.35 1.35 ! 0.0000 2623:20 Long 3.49, 4.59 A assign (resid 80 and name HN) (resid 79 and name HB*) 3.15 1.35 1.35 ! 0.0000 2624:20 Seq 2.91, 3.80 A assign (resid 58 and name HN) (resid 79 and name HB*) 4.15 2.35 2.35 ! 0.0000 2625:20 Long 2.58, 4.25 A assign (resid 58 and name HE21) (resid 79 and name HB*) 3.65 1.85 1.85 ! 0.6725 2626:20 Ambig 4.27, 7.25 A or (resid 81 and name HN) (resid 79 and name HB*) ! 0.3275 2626:20 ----- 4.81, 5.30 A assign (resid 117 and name HN) (resid 117 and name HG2*) 3.15 1.35 1.35 ! 0.9459 2627:20 Intra 2.34, 3.30 A assign (resid 95 and name HN) (resid 95 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2629:20 Intra 1.98, 2.89 A assign (resid 115 and name HN) (resid 122 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2630:20 Long 3.71, 4.69 A assign (resid 45 and name HN) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2631:20 Long 4.07, 5.21 A assign (resid 45 and name HD1) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.9682 2632:20 Long 3.47, 5.17 A assign (resid 95 and name HN) (resid 111 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2633:20 Long 3.96, 4.63 A assign (resid 85 and name HD*) (resid 83 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2634:20 Mid 2.96, 6.40 A assign (resid 84 and name HN) (resid 83 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2635:20 Seq 2.50, 3.46 A assign (resid 42 and name HD*) (resid 66 and name HA) 3.65 1.85 1.85 ! 0.7987 2636:20 Ambig 3.14, 5.19 A or (resid 68 and name HE*) (resid 66 and name HA) ! 0.1034 2636:20 ----- 4.42, 6.32 A assign (resid 108 and name HE*) (resid 66 and name HA) 3.15 1.35 1.35 ! 0.9978 2637:20 Long 2.65, 4.70 A assign (resid 130 and name HE*) (resid 112 and name HA) 3.65 1.85 1.85 ! 0.7954 2638:20 Ambig 4.40, 6.26 A or (resid 127 and name HD1) (resid 112 and name HA) ! 0.2046 2638:20 ----- 5.52, 6.16 A assign (resid 127 and name HZ3) (resid 112 and name HA) 3.65 1.85 1.85 ! 0.5338 2639:20 Ambig 2.75, 3.74 A or (resid 112 and name HN) (resid 112 and name HA) ! 0.4662 2639:20 ----- 2.82, 2.85 A assign (resid 71 and name HN) (resid 71 and name HB*) 2.65 0.85 0.85 ! 0.0000 2642:20 Intra 2.38, 2.88 A assign (resid 96 and name HZ3) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.6707 2643:20 Ambig 4.44, 5.65 A or (resid 96 and name HZ2) (resid 71 and name HB*) ! 0.3293 2643:20 ----- 5.00, 6.30 A assign (resid 68 and name HN) (resid 71 and name HB*) 3.15 1.35 1.35 ! 0.9735 2644:20 Mid 2.18, 3.12 A assign (resid 130 and name HE*) (resid 95 and name HG2*) 3.65 1.85 1.85 ! 0.9020 2647:20 Long 3.98, 5.38 A assign (resid 130 and name HZ) (resid 95 and name HG2*) 3.65 1.85 1.85 ! 0.9764 2648:20 Long 2.84, 4.15 A assign (resid 105 and name HD21) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.9975 2649:20 Long 2.07, 4.01 A assign (resid 96 and name HD1) (resid 90 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2650:20 Long 4.38, 5.64 A assign (resid 105 and name HD22) (resid 64 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2651:20 Long 1.82, 3.54 A assign (resid 130 and name HE*) (resid 111 and name HG2*) 3.15 1.35 1.35 ! 0.9875 2652:20 Long 2.08, 4.29 A assign (resid 53 and name HD*) (resid 83 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2653:20 Long 3.98, 7.01 A assign (resid 130 and name HZ) (resid 111 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2654:20 Long 2.08, 2.95 A assign (resid 99 and name HD*) (resid 83 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2655:20 Long 3.05, 4.07 A assign (resid 108 and name HD*) (resid 71 and name HB*) 4.15 2.35 2.35 ! 0.0000 2656:20 Long 5.33, 7.47 A assign (resid 63 and name HA) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.0000 2658:20 Long 4.03, 4.86 A assign (resid 70 and name HA) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.0000 2659:20 Seq 5.06, 5.67 A assign (resid 59 and name HA) (resid 79 and name HB*) 3.15 1.35 1.35 ! 0.0000 2660:20 Long 3.13, 4.58 A assign (resid 96 and name HA) (resid 95 and name HG2*) 4.15 2.35 2.35 ! 0.9125 2661:20 Seq 4.07, 5.28 A assign (resid 95 and name HA) (resid 95 and name HG2*) 2.65 0.85 0.85 ! 0.9227 2662:20 Intra 3.71, 3.94 A assign (resid 90 and name HA) (resid 90 and name HG2*) 3.15 1.35 1.35 ! 0.7788 2663:20 Ambig 2.55, 3.20 A or (resid 95 and name HA) (resid 90 and name HG2*) ! 0.2212 2663:20 ----- 3.14, 4.52 A assign (resid 96 and name HA) (resid 111 and name HG2*) 3.65 1.85 1.85 ! 0.9561 2664:20 Long 2.74, 4.09 A assign (resid 85 and name HA) (resid 83 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2665:20 Mid 3.57, 4.62 A assign (resid 52 and name HA) (resid 83 and name HG2*) 4.15 2.35 2.35 ! 0.8616 2666:20 Ambig 4.67, 6.18 A or (resid 82 and name HA) (resid 83 and name HG2*) ! 0.1384 2666:20 ----- 6.34, 6.60 A assign (resid 92 and name HA) (resid 92 and name HB*) 2.30 0.50 0.50 ! 0.9955 2668:20 Intra 2.41, 2.63 A assign (resid 71 and name HA) (resid 71 and name HB*) 2.65 0.85 0.85 ! 0.0000 2671:20 Intra 2.42, 2.64 A assign (resid 66 and name HA) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.8561 2672:20 Ambig 4.94, 5.78 A or (resid 110 and name HD1) (resid 71 and name HB*) ! 0.1439 2672:20 ----- 6.65, 7.93 A assign (resid 79 and name HA) (resid 79 and name HB*) 2.65 0.85 0.85 ! 0.0000 2674:20 Intra 2.43, 2.64 A assign (resid 117 and name HA) (resid 117 and name HG2*) 2.65 0.85 0.85 ! 0.8060 2676:20 Ambig 2.61, 3.80 A or (resid 116 and name HA2) (resid 117 and name HG2*) ! 0.1940 2676:20 ----- 3.31, 4.79 A assign (resid 122 and name HA) (resid 122 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2678:20 Intra 2.46, 3.12 A assign (resid 115 and name HA) (resid 90 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2679:20 Long 4.19, 5.29 A assign (resid 64 and name HA) (resid 64 and name HG2*) 2.65 0.85 0.85 ! 0.9968 2680:20 Intra 2.45, 3.17 A assign (resid 116 and name HA2) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.4670 2681:20 Ambig 3.63, 6.70 A or (resid 117 and name HA) (resid 90 and name HG2*) ! 0.4303 2681:20 ----- 3.68, 5.14 A or (resid 44 and name HA) (resid 90 and name HG2*) ! 0.0882 2681:20 ----- 4.80, 6.19 A assign (resid 111 and name HA) (resid 111 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2682:20 Intra 3.64, 3.90 A assign (resid 83 and name HA) (resid 83 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2683:20 Intra 2.53, 3.20 A assign (resid 110 and name HA) (resid 111 and name HG2*) 3.65 1.85 1.85 ! 0.9191 2684:20 Seq 3.63, 4.83 A assign (resid 66 and name HB2) (resid 66 and name HA) 2.65 0.85 0.85 ! 0.8802 2685:20 Ambig 3.02, 3.03 A or (resid 65 and name HA1) (resid 66 and name HA) ! 0.0800 2685:20 ----- 4.50, 4.58 A assign (resid 66 and name HB1) (resid 66 and name HA) 3.15 1.35 1.35 ! 0.0000 2686:20 Intra 2.40, 2.46 A assign (resid 72 and name HD1) (resid 71 and name HB*) 2.65 0.85 0.85 ! 0.0000 2688:20 Seq 2.96, 3.85 A assign (resid 72 and name HD2) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.8103 2689:20 Ambig 2.04, 3.25 A or (resid 66 and name HB2) (resid 71 and name HB*) ! 0.1882 2689:20 ----- 2.60, 4.00 A assign (resid 68 and name HB2) (resid 71 and name HB*) 3.15 1.35 1.35 ! 0.7340 2690:20 Ambig 1.87, 2.94 A or (resid 63 and name HD1) (resid 71 and name HB*) ! 0.2660 2690:20 ----- 2.21, 4.39 A assign (resid 59 and name HD2) (resid 79 and name HB*) 3.15 1.35 1.35 ! 0.7044 2691:20 Ambig 3.83, 5.37 A or (resid 56 and name HA1) (resid 79 and name HB*) ! 0.2956 2691:20 ----- 4.43, 6.34 A assign (resid 116 and name HA1) (resid 117 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2692:20 Seq 4.20, 5.35 A assign (resid 119 and name HD2) (resid 117 and name HG2*) 4.15 2.35 2.35 ! 0.6651 2693:20 Ambig 4.66, 6.54 A or (resid 119 and name HD1) (resid 117 and name HG2*) ! 0.3349 2693:20 ----- 5.23, 7.13 A assign (resid 124 and name HA1) (resid 122 and name HG2*) 4.15 2.35 2.35 ! 0.7954 2694:20 Ambig 4.67, 6.20 A or (resid 116 and name HA1) (resid 122 and name HG2*) ! 0.2046 2694:20 ----- 5.85, 6.79 A assign (resid 123 and name HD1) (resid 122 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2695:20 Seq 3.77, 4.64 A assign (resid 112 and name HD2) (resid 95 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2696:20 Long 2.86, 4.77 A assign (resid 75 and name HA1) (resid 64 and name HG2*) 4.15 2.35 2.35 ! 0.7679 2697:20 Ambig 5.12, 6.64 A or (resid 72 and name HD1) (resid 64 and name HG2*) ! 0.2321 2697:20 ----- 6.26, 7.77 A assign (resid 65 and name HA1) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.9466 2698:20 Seq 2.98, 4.10 A assign (resid 85 and name HB2) (resid 83 and name HG2*) 3.65 1.85 1.85 ! 0.9269 2700:20 Mid 4.63, 5.89 A assign (resid 112 and name HD2) (resid 111 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2701:20 Seq 4.14, 6.18 A assign (resid 99 and name HB2) (resid 83 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2702:20 Long 3.02, 3.75 A assign (resid 112 and name HA) (resid 111 and name HG2*) 3.65 1.85 1.85 ! 0.7352 2703:20 Ambig 4.33, 5.38 A or (resid 96 and name HB2) (resid 111 and name HG2*) ! 0.1470 2703:20 ----- 5.66, 6.83 A or (resid 109 and name HB2) (resid 111 and name HG2*) ! 0.1178 2703:20 ----- 5.87, 6.91 A assign (resid 67 and name HD2) (resid 66 and name HA) 2.65 0.85 0.85 ! 0.9825 2704:20 Seq 2.57, 2.79 A assign (resid 67 and name HA) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.8558 2706:20 Ambig 3.43, 3.97 A or (resid 70 and name HB1) (resid 71 and name HB*) ! 0.0752 2706:20 ----- 5.15, 6.51 A assign (resid 68 and name HB1) (resid 71 and name HB*) 2.65 0.85 0.85 ! 0.4565 2707:20 Ambig 3.52, 4.54 A or (resid 63 and name HG2) (resid 71 and name HB*) ! 0.4009 2707:20 ----- 3.59, 4.64 A or (resid 72 and name HB2) (resid 71 and name HB*) ! 0.1353 2707:20 ----- 4.31, 5.42 A assign (resid 78 and name HB2) (resid 79 and name HB*) 3.65 1.85 1.85 ! 0.0000 2709:20 Seq 4.45, 5.32 A assign (resid 112 and name HD1) (resid 95 and name HG2*) 4.15 2.35 2.35 ! 0.9827 2710:20 Long 3.26, 4.71 A assign (resid 115 and name HG1) (resid 122 and name HG2*) 3.65 1.85 1.85 ! 0.5616 2711:20 Ambig 3.32, 6.21 A or (resid 115 and name HG2) (resid 122 and name HG2*) ! 0.4180 2711:20 ----- 3.49, 6.37 A assign (resid 45 and name HB1) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.7737 2712:20 Ambig 5.37, 6.42 A or (resid 37 and name HB1) (resid 90 and name HG2*) ! 0.2263 2712:20 ----- 6.59, 8.00 A assign (resid 45 and name HB2) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.9593 2713:20 Long 3.89, 4.83 A assign (resid 105 and name HB2) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.9938 2714:20 Long 2.81, 4.91 A assign (resid 105 and name HB1) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.9306 2715:20 Long 2.23, 4.87 A assign (resid 114 and name HB1) (resid 90 and name HG2*) 3.15 1.35 1.35 ! 0.5569 2716:20 Ambig 3.08, 4.85 A or (resid 114 and name HB2) (resid 90 and name HG2*) ! 0.4002 2716:20 ----- 3.25, 5.29 A assign (resid 99 and name HB1) (resid 83 and name HG2*) 3.65 1.85 1.85 ! 0.9195 2717:20 Long 3.09, 3.81 A assign (resid 53 and name HB2) (resid 83 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2718:20 Long 4.76, 6.34 A assign (resid 112 and name HD1) (resid 111 and name HG2*) 3.65 1.85 1.85 ! 0.6200 2719:20 Ambig 4.02, 5.54 A or (resid 53 and name HB2) (resid 111 and name HG2*) ! 0.2276 2719:20 ----- 4.75, 6.19 A or (resid 96 and name HB1) (resid 111 and name HG2*) ! 0.1524 2719:20 ----- 5.08, 6.46 A assign (resid 85 and name HB1) (resid 83 and name HG2*) 3.15 1.35 1.35 ! 0.9448 2720:20 Mid 2.96, 4.36 A assign (resid 67 and name HD1) (resid 66 and name HA) 2.65 0.85 0.85 ! 0.0000 2721:20 Seq 1.88, 1.96 A assign (resid 112 and name HB2) (resid 112 and name HA) 3.15 1.35 1.35 ! 0.9910 2722:20 Intra 2.37, 2.43 A assign (resid 63 and name HB*) (resid 71 and name HB*) 2.30 0.50 0.50 ! 0.9869 2726:20 Long 2.06, 3.24 A assign (resid 59 and name HB1) (resid 79 and name HB*) 3.65 1.85 1.85 ! 0.8608 2727:20 Ambig 3.90, 5.54 A or (resid 58 and name HG*) (resid 79 and name HB*) ! 0.1392 2727:20 ----- 5.28, 6.78 A assign (resid 59 and name HG*) (resid 79 and name HB*) 3.65 1.85 1.85 ! 0.9871 2728:20 Long 2.27, 4.78 A assign (resid 81 and name HB*) (resid 79 and name HB*) 3.65 1.85 1.85 ! 0.0000 2731:20 Mid 6.43, 7.47 A assign (resid 118 and name HD1) (resid 117 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2732:20 Seq 4.55, 5.56 A assign (resid 112 and name HB2) (resid 95 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2733:20 Long 3.81, 5.01 A assign (resid 115 and name HB1) (resid 122 and name HG2*) 3.65 1.85 1.85 ! 0.8789 2734:20 Ambig 3.63, 5.39 A or (resid 123 and name HB2) (resid 122 and name HG2*) ! 0.0951 2734:20 ----- 5.26, 6.48 A assign (resid 123 and name HB1) (resid 95 and name HG2*) 3.15 1.35 1.35 ! 0.5606 2735:20 Ambig 3.99, 6.11 A or (resid 111 and name HB) (resid 95 and name HG2*) ! 0.4394 2735:20 ----- 4.16, 5.16 A assign (resid 115 and name HB2) (resid 122 and name HG2*) 4.15 2.35 2.35 ! 0.9718 2736:20 Long 3.21, 5.03 A assign (resid 122 and name HB) (resid 122 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2737:20 Intra 2.42, 2.64 A assign (resid 64 and name HB) (resid 64 and name HG2*) 2.65 0.85 0.85 ! 0.9779 2738:20 Intra 2.38, 2.64 A assign (resid 112 and name HB2) (resid 111 and name HG2*) 3.65 1.85 1.85 ! 0.9859 2739:20 Seq 3.26, 5.64 A assign (resid 111 and name HB) (resid 111 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2740:20 Intra 2.41, 2.64 A assign (resid 84 and name HB) (resid 83 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2741:20 Seq 5.19, 6.05 A assign (resid 126 and name HB*) (resid 111 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2742:20 Long 5.56, 7.34 A assign (resid 97 and name HB) (resid 83 and name HG2*) 4.15 2.35 2.35 ! 0.5285 2743:20 Ambig 4.87, 6.20 A or (resid 101 and name HB*) (resid 83 and name HG2*) ! 0.3024 2743:20 ----- 5.35, 7.78 A or (resid 81 and name HB*) (resid 83 and name HG2*) ! 0.1691 2743:20 ----- 5.89, 7.31 A assign (resid 83 and name HB) (resid 83 and name HG2*) 3.15 1.35 1.35 ! 0.9972 2744:20 Intra 2.41, 2.63 A assign (resid 67 and name HG2) (resid 66 and name HA) 3.65 1.85 1.85 ! 0.0000 2745:20 Seq 4.48, 4.54 A assign (resid 67 and name HG1) (resid 66 and name HA) 3.65 1.85 1.85 ! 0.0000 2746:20 Seq 3.82, 4.10 A assign (resid 112 and name HB1) (resid 112 and name HA) 3.15 1.35 1.35 ! 0.5649 2748:20 Ambig 2.44, 2.57 A or (resid 112 and name HG1) (resid 112 and name HA) ! 0.4351 2748:20 ----- 2.55, 3.56 A assign (resid 69 and name HD2*) (resid 92 and name HB*) 4.15 2.35 2.35 ! 0.0000 2750:20 Long 3.95, 7.00 A assign (resid 117 and name HB) (resid 117 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2755:20 Intra 2.42, 2.64 A assign (resid 95 and name HB) (resid 95 and name HG2*) 2.65 0.85 0.85 ! 0.9863 2757:20 Intra 2.39, 2.62 A assign (resid 90 and name HB) (resid 90 and name HG2*) 2.65 0.85 0.85 ! 0.9927 2759:20 Intra 2.43, 2.65 A assign (resid 112 and name HB1) (resid 111 and name HG2*) 3.15 1.35 1.35 ! 0.6677 2760:20 Ambig 2.86, 4.61 A or (resid 95 and name HG12) (resid 111 and name HG2*) ! 0.1898 2760:20 ----- 3.53, 4.21 A or (resid 112 and name HG1) (resid 111 and name HG2*) ! 0.1425 2760:20 ----- 3.70, 5.17 A assign (resid 95 and name HG2*) (resid 111 and name HG2*) 2.65 0.85 0.85 ! 0.9820 2762:20 Long 1.94, 3.47 A assign (resid 111 and name HG2*) (resid 112 and name HA) 3.65 1.85 1.85 ! 0.0000 2765:20 Seq 4.33, 5.38 A assign (resid 111 and name HG2*) (resid 95 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2769:20 Long 1.94, 3.47 A assign (resid 97 and name HG2*) (resid 95 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2770:20 Mid 3.94, 5.92 A assign (resid 97 and name HG2*) (resid 111 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2771:20 Long 2.13, 3.99 A assign (resid 97 and name HG2*) (resid 83 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2772:20 Long 5.81, 7.95 A assign (resid 67 and name HB*) (resid 66 and name HA) 3.65 1.85 1.85 ! 0.0000 2776:20 Seq 4.89, 5.28 A assign (resid 118 and name HG1) (resid 117 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2777:20 Seq 6.44, 7.30 A assign (resid 90 and name HD1*) (resid 95 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2778:20 Long 5.57, 7.26 A assign (resid 90 and name HD1*) (resid 90 and name HG2*) 2.65 0.85 0.85 ! 0.8966 2779:20 Ambig 1.99, 3.62 A or (resid 118 and name HG1) (resid 90 and name HG2*) ! 0.1034 2779:20 ----- 2.86, 4.68 A assign (resid 109 and name HN) (resid 97 and name HD1*) 3.65 1.85 1.85 ! 0.6447 2781:20 Ambig 4.18, 4.89 A or (resid 53 and name HN) (resid 97 and name HD1*) ! 0.3553 2781:20 ----- 4.62, 5.23 A assign (resid 98 and name HN) (resid 97 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2782:20 Seq 5.25, 5.93 A assign (resid 109 and name HN) (resid 97 and name HG2*) 3.65 1.85 1.85 ! 0.7080 2783:20 Ambig 4.90, 5.60 A or (resid 53 and name HN) (resid 97 and name HG2*) ! 0.2920 2783:20 ----- 5.67, 7.14 A assign (resid 89 and name HN) (resid 97 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2784:20 Long 4.30, 5.28 A assign (resid 98 and name HN) (resid 97 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2785:20 Seq 4.14, 4.80 A assign (resid 55 and name HN) (resid 55 and name HA) 3.65 1.85 1.85 ! 0.0000 2786:20 Intra 2.84, 2.87 A assign (resid 56 and name HN) (resid 55 and name HA) 2.65 0.85 0.85 ! 0.9995 2787:20 Seq 2.13, 2.22 A assign (resid 79 and name HN) (resid 79 and name HA) 3.65 1.85 1.85 ! 0.0000 2788:20 Intra 2.83, 2.85 A assign (resid 3 and name HN) (resid 3 and name HA) 3.65 1.85 1.85 ! 0.0000 2790:20 Intra 2.22, 2.79 A assign (resid 82 and name HN) (resid 81 and name HA) 2.65 0.85 0.85 ! 0.9667 2791:20 Seq 2.08, 2.13 A assign (resid 127 and name HN) (resid 60 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2793:20 Long 4.00, 4.94 A assign (resid 111 and name HN) (resid 60 and name HD1*) 3.65 1.85 1.85 ! 0.9642 2794:20 Long 3.23, 4.43 A assign (resid 97 and name HN) (resid 97 and name HD1*) 3.65 1.85 1.85 ! 0.4456 2795:20 Ambig 4.45, 4.68 A or (resid 85 and name HN) (resid 97 and name HD1*) ! 0.4284 2795:20 ----- 4.48, 5.62 A or (resid 86 and name HN) (resid 97 and name HD1*) ! 0.1260 2795:20 ----- 5.49, 6.97 A assign (resid 97 and name HN) (resid 97 and name HG2*) 3.15 1.35 1.35 ! 0.9822 2796:20 Intra 2.67, 3.60 A assign (resid 80 and name HN) (resid 79 and name HA) 2.65 0.85 0.85 ! 0.0000 2797:20 Seq 2.09, 2.20 A assign (resid 58 and name HN) (resid 79 and name HA) 4.15 2.35 2.35 ! 0.0000 2798:20 Long 3.05, 4.18 A assign (resid 81 and name HN) (resid 81 and name HA) 3.15 1.35 1.35 ! 0.6114 2799:20 Ambig 2.81, 2.87 A or (resid 81 and name HN) (resid 79 and name HA) ! 0.3498 2799:20 ----- 3.08, 3.27 A assign (resid 60 and name HN) (resid 60 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2800:20 Intra 4.24, 4.82 A assign (resid 127 and name HE3) (resid 60 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2801:20 Long 2.22, 3.68 A assign (resid 85 and name HD*) (resid 97 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2802:20 Long 2.28, 4.58 A assign (resid 85 and name HD*) (resid 97 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2803:20 Long 3.10, 4.50 A assign (resid 128 and name HN) (resid 55 and name HA) 4.15 2.35 2.35 ! 0.0000 2804:20 Long 4.65, 5.13 A assign (resid 55 and name HD22) (resid 55 and name HA) 3.65 1.85 1.85 ! 0.0000 2806:20 Intra 3.93, 4.55 A assign (resid 55 and name HD22) (resid 79 and name HA) 4.15 2.35 2.35 ! 0.9972 2807:20 Long 2.48, 2.92 A assign (resid 53 and name HD*) (resid 97 and name HD1*) 3.15 1.35 1.35 ! 0.7221 2810:20 Ambig 3.00, 4.47 A or (resid 130 and name HE*) (resid 97 and name HD1*) ! 0.2690 2810:20 ----- 3.54, 6.83 A assign (resid 99 and name HD*) (resid 97 and name HD1*) 2.65 0.85 0.85 ! 0.7679 2811:20 Ambig 2.78, 5.45 A or (resid 85 and name HE*) (resid 97 and name HD1*) ! 0.2321 2811:20 ----- 3.39, 5.65 A assign (resid 130 and name HE*) (resid 97 and name HG2*) 3.15 1.35 1.35 ! 0.9283 2812:20 Long 2.58, 5.43 A assign (resid 130 and name HZ) (resid 97 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2813:20 Long 3.97, 5.29 A assign (resid 85 and name HE*) (resid 97 and name HG2*) 3.15 1.35 1.35 ! 0.9565 2814:20 Long 3.11, 4.56 A assign (resid 88 and name HA) (resid 97 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2815:20 Long 3.18, 4.44 A assign (resid 59 and name HA) (resid 79 and name HA) 4.15 2.35 2.35 ! 0.8707 2816:20 Ambig 3.29, 3.81 A or (resid 58 and name HA) (resid 79 and name HA) ! 0.1293 2816:20 ----- 4.52, 5.03 A assign (resid 82 and name HA) (resid 81 and name HA) 3.65 1.85 1.85 ! 0.0000 2817:20 Seq 4.34, 4.37 A assign (resid 85 and name HA) (resid 97 and name HD1*) 3.65 1.85 1.85 ! 0.5394 2821:20 Ambig 4.14, 5.61 A or (resid 97 and name HA) (resid 97 and name HD1*) ! 0.2098 2821:20 ----- 4.85, 5.13 A or (resid 109 and name HA) (resid 97 and name HD1*) ! 0.1243 2821:20 ----- 5.29, 6.32 A or (resid 108 and name HA) (resid 97 and name HD1*) ! 0.0752 2821:20 ----- 5.75, 6.36 A assign (resid 97 and name HA) (resid 97 and name HG2*) 2.65 0.85 0.85 ! 0.9216 2822:20 Intra 2.48, 3.08 A assign (resid 111 and name HA) (resid 60 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2826:20 Long 2.48, 3.51 A assign (resid 60 and name HA) (resid 60 and name HD1*) 3.15 1.35 1.35 ! 0.8499 2827:20 Ambig 4.39, 4.69 A or (resid 79 and name HA) (resid 60 and name HD1*) ! 0.1501 2827:20 ----- 5.86, 6.83 A assign (resid 128 and name HA*) (resid 55 and name HA) 3.65 1.85 1.85 ! 0.9956 2828:20 Long 2.17, 2.92 A assign (resid 80 and name HA*) (resid 79 and name HA) 2.65 0.85 0.85 ! 0.3275 2829:20 Ambig 4.35, 4.42 A or (resid 82 and name HB) (resid 81 and name HA) ! 0.3235 2829:20 ----- 4.35, 4.51 A or (resid 80 and name HA*) (resid 81 and name HA) ! 0.3202 2829:20 ----- 4.36, 4.54 A assign (resid 110 and name HD2) (resid 60 and name HD1*) 3.65 1.85 1.85 ! 0.5512 2833:20 Ambig 3.73, 5.07 A or (resid 128 and name HA*) (resid 60 and name HD1*) ! 0.4488 2833:20 ----- 3.86, 5.45 A assign (resid 127 and name HB2) (resid 60 and name HD1*) 3.15 1.35 1.35 ! 0.9960 2834:20 Long 2.07, 2.99 A assign (resid 127 and name HB1) (resid 60 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2835:20 Long 2.35, 3.78 A assign (resid 85 and name HB2) (resid 97 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2836:20 Long 3.45, 4.66 A assign (resid 85 and name HB2) (resid 97 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2837:20 Long 3.76, 4.63 A assign (resid 55 and name HB2) (resid 55 and name HA) 3.65 1.85 1.85 ! 0.9923 2838:20 Intra 2.42, 2.49 A assign (resid 55 and name HB1) (resid 55 and name HA) 3.15 1.35 1.35 ! 0.0000 2839:20 Intra 3.03, 3.04 A assign (resid 55 and name HB2) (resid 79 and name HA) 4.15 2.35 2.35 ! 0.0000 2840:20 Long 3.68, 4.39 A assign (resid 53 and name HB1) (resid 97 and name HD1*) 3.15 1.35 1.35 ! 0.9971 2843:20 Long 2.56, 3.18 A assign (resid 53 and name HB2) (resid 97 and name HD1*) 2.65 0.85 0.85 ! 0.9981 2844:20 Long 2.57, 3.47 A assign (resid 85 and name HB1) (resid 97 and name HD1*) 3.15 1.35 1.35 ! 0.6669 2845:20 Ambig 2.04, 3.38 A or (resid 109 and name HB1) (resid 97 and name HD1*) ! 0.3331 2845:20 ----- 2.29, 3.35 A assign (resid 53 and name HB1) (resid 97 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2846:20 Long 3.88, 5.53 A assign (resid 53 and name HB2) (resid 97 and name HG2*) 3.65 1.85 1.85 ! 0.9690 2847:20 Long 3.07, 4.59 A assign (resid 85 and name HB1) (resid 97 and name HG2*) 3.65 1.85 1.85 ! 0.7752 2848:20 Ambig 3.60, 4.59 A or (resid 109 and name HB1) (resid 97 and name HG2*) ! 0.2248 2848:20 ----- 4.43, 5.05 A assign (resid 78 and name HB1) (resid 79 and name HA) 4.15 2.35 2.35 ! 0.7268 2849:20 Ambig 5.52, 5.77 A or (resid 78 and name HB1) (resid 81 and name HA) ! 0.2732 2849:20 ----- 6.49, 6.88 A assign (resid 77 and name HG) (resid 79 and name HA) 3.65 1.85 1.85 ! 0.6236 2850:20 Ambig 4.54, 4.84 A or (resid 77 and name HG) (resid 81 and name HA) ! 0.2292 2850:20 ----- 5.37, 5.77 A or (resid 59 and name HB2) (resid 79 and name HA) ! 0.1473 2850:20 ----- 5.78, 6.48 A assign (resid 110 and name HG2) (resid 60 and name HD1*) 3.15 1.35 1.35 ! 0.9116 2851:20 Long 3.13, 4.88 A assign (resid 60 and name HG12) (resid 60 and name HD1*) 2.65 0.85 0.85 ! 0.9817 2852:20 Intra 2.41, 2.62 A assign (resid 60 and name HB) (resid 60 and name HD1*) 2.65 0.85 0.85 ! 0.9530 2853:20 Intra 2.54, 3.16 A assign (resid 111 and name HB) (resid 97 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2854:20 Long 4.42, 5.37 A assign (resid 97 and name HG12) (resid 97 and name HD1*) 2.65 0.85 0.85 ! 0.9134 2855:20 Intra 2.41, 2.62 A assign (resid 111 and name HB) (resid 97 and name HG2*) 3.15 1.35 1.35 ! 0.7848 2856:20 Ambig 4.11, 5.00 A or (resid 88 and name HB) (resid 97 and name HG2*) ! 0.2152 2856:20 ----- 5.09, 6.55 A assign (resid 97 and name HB) (resid 97 and name HG2*) 2.65 0.85 0.85 ! 0.9932 2857:20 Intra 2.41, 2.63 A assign (resid 79 and name HB*) (resid 79 and name HA) 2.65 0.85 0.85 ! 0.9945 2858:20 Intra 2.43, 2.64 A assign (resid 3 and name HB*) (resid 3 and name HA) 3.15 1.35 1.35 ! 0.5027 2859:20 Ambig 2.38, 2.64 A or (resid 81 and name HB*) (resid 81 and name HA) ! 0.4571 2859:20 ----- 2.42, 2.63 A assign (resid 60 and name HG11) (resid 60 and name HD1*) 2.30 0.50 0.50 ! 0.9944 2861:20 Intra 2.41, 2.63 A assign (resid 97 and name HG11) (resid 97 and name HD1*) 2.30 0.50 0.50 ! 0.9315 2864:20 Intra 2.43, 2.63 A assign (resid 83 and name HG11) (resid 97 and name HD1*) 3.65 1.85 1.85 ! 0.9557 2865:20 Long 4.19, 5.54 A assign (resid 88 and name HG2*) (resid 97 and name HG2*) 3.15 1.35 1.35 ! 0.9940 2866:20 Long 2.19, 5.09 A assign (resid 97 and name HD1*) (resid 60 and name HD1*) 4.15 2.35 2.35 ! 0.5622 2870:20 Ambig 5.79, 7.68 A or (resid 111 and name HG2*) (resid 60 and name HD1*) ! 0.4378 2870:20 ----- 6.03, 7.22 A assign (resid 111 and name HG1*) (resid 60 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2871:20 Long 3.40, 5.33 A assign (resid 97 and name HG2*) (resid 97 and name HD1*) 2.65 0.85 0.85 ! 0.0000 2874:20 Intra 2.04, 3.72 A assign (resid 111 and name HG1*) (resid 97 and name HD1*) 2.65 0.85 0.85 ! 0.0000 2875:20 Long 2.19, 3.58 A assign (resid 97 and name HD1*) (resid 97 and name HG2*) 2.30 0.50 0.50 ! 0.0000 2876:20 Intra 2.04, 3.72 A assign (resid 111 and name HG1*) (resid 97 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2877:20 Long 2.55, 4.18 A assign (resid 96 and name HN) (resid 95 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2880:20 Seq 4.63, 5.19 A assign (resid 63 and name HN) (resid 110 and name HD2) 4.15 2.35 2.35 ! 0.0000 2881:20 Long 4.39, 4.83 A assign (resid 83 and name HN) (resid 83 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2882:20 Intra 3.87, 4.70 A assign (resid 63 and name HN) (resid 64 and name HD1*) 3.65 1.85 1.85 ! 0.7788 2883:20 Ambig 4.10, 7.05 A or (resid 65 and name HN) (resid 64 and name HD1*) ! 0.2212 2883:20 ----- 5.06, 6.21 A assign (resid 90 and name HN) (resid 90 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2884:20 Intra 4.29, 5.03 A assign (resid 122 and name HN) (resid 123 and name HD1) 3.65 1.85 1.85 ! 0.9601 2885:20 Seq 4.00, 4.21 A assign (resid 122 and name HN) (resid 123 and name HD2) 4.15 2.35 2.35 ! 0.0000 2889:20 Seq 4.93, 5.15 A assign (resid 122 and name HN) (resid 122 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2891:20 Intra 3.28, 4.46 A assign (resid 108 and name HN) (resid 64 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2893:20 Long 4.53, 7.08 A assign (resid 64 and name HN) (resid 64 and name HD1*) 3.15 1.35 1.35 ! 0.9285 2894:20 Intra 2.43, 4.44 A assign (resid 122 and name HN) (resid 90 and name HD1*) 3.65 1.85 1.85 ! 0.6658 2895:20 Ambig 5.03, 6.29 A or (resid 91 and name HN) (resid 90 and name HD1*) ! 0.3342 2895:20 ----- 5.64, 6.31 A assign (resid 95 and name HN) (resid 95 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2896:20 Intra 5.13, 5.58 A assign (resid 115 and name HN) (resid 122 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2897:20 Long 4.36, 5.73 A assign (resid 84 and name HN) (resid 83 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2898:20 Seq 3.67, 4.67 A assign (resid 37 and name HZ2) (resid 90 and name HD1*) 3.15 1.35 1.35 ! 0.7364 2899:20 Ambig 3.11, 4.25 A or (resid 37 and name HE3) (resid 90 and name HD1*) ! 0.2636 2899:20 ----- 3.69, 5.30 A assign (resid 96 and name HZ3) (resid 110 and name HD1) 3.65 1.85 1.85 ! 0.9934 2900:20 Long 2.17, 2.46 A assign (resid 46 and name HD*) (resid 48 and name HD1) 3.65 1.85 1.85 ! 0.7914 2901:20 Ambig 2.78, 5.51 A or (resid 68 and name HD*) (resid 72 and name HD1) ! 0.1666 2901:20 ----- 3.61, 5.98 A assign (resid 96 and name HE3) (resid 110 and name HD2) 3.65 1.85 1.85 ! 0.0000 2903:20 Long 4.54, 4.71 A assign (resid 96 and name HZ3) (resid 110 and name HD2) 3.65 1.85 1.85 ! 0.6667 2904:20 Ambig 3.92, 4.21 A or (resid 127 and name HZ3) (resid 110 and name HD2) ! 0.3333 2904:20 ----- 4.40, 5.10 A assign (resid 130 and name HE*) (resid 95 and name HD1*) 3.65 1.85 1.85 ! 0.9686 2905:20 Long 3.98, 6.53 A assign (resid 37 and name HH2) (resid 95 and name HD1*) 3.65 1.85 1.85 ! 0.9960 2906:20 Long 2.30, 3.99 A assign (resid 99 and name HD*) (resid 83 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2907:20 Long 3.34, 6.19 A assign (resid 99 and name HE*) (resid 83 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2908:20 Long 3.01, 5.75 A assign (resid 75 and name HN) (resid 64 and name HD1*) 3.65 1.85 1.85 ! 0.5210 2909:20 Ambig 2.39, 4.17 A or (resid 105 and name HD21) (resid 64 and name HD1*) ! 0.4790 2909:20 ----- 2.42, 5.31 A assign (resid 105 and name HD22) (resid 64 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2910:20 Long 2.34, 4.89 A assign (resid 37 and name HH2) (resid 90 and name HD1*) 3.15 1.35 1.35 ! 0.8420 2911:20 Ambig 2.70, 3.92 A or (resid 37 and name HZ3) (resid 90 and name HD1*) ! 0.1580 2911:20 ----- 3.56, 4.52 A assign (resid 121 and name HD2) (resid 123 and name HD1) 4.15 2.35 2.35 ! 0.0000 2912:20 Mid 2.34, 3.41 A assign (resid 121 and name HD2) (resid 123 and name HD2) 4.15 2.35 2.35 ! 0.0000 2913:20 Mid 4.04, 4.92 A assign (resid 121 and name HD2) (resid 95 and name HD1*) 3.65 1.85 1.85 ! 0.9287 2914:20 Long 3.60, 5.32 A assign (resid 121 and name HD2) (resid 90 and name HD1*) 3.65 1.85 1.85 ! 0.7454 2915:20 Ambig 4.66, 6.28 A or (resid 89 and name HA) (resid 90 and name HD1*) ! 0.2546 2915:20 ----- 5.57, 6.30 A assign (resid 109 and name HA) (resid 110 and name HD1) 3.65 1.85 1.85 ! 0.9862 2916:20 Seq 2.24, 2.30 A assign (resid 62 and name HA) (resid 110 and name HD1) 3.65 1.85 1.85 ! 0.0000 2917:20 Long 2.22, 2.56 A assign (resid 77 and name HA) (resid 78 and name HD2) 3.15 1.35 1.35 ! 0.9982 2919:20 Seq 1.99, 2.10 A assign (resid 109 and name HA) (resid 110 and name HD2) 3.15 1.35 1.35 ! 0.9929 2920:20 Seq 2.19, 2.28 A assign (resid 58 and name HA) (resid 59 and name HD2) 2.65 0.85 0.85 ! 0.9514 2921:20 Seq 2.38, 2.74 A assign (resid 58 and name HA) (resid 59 and name HD1) 2.65 0.85 0.85 ! 0.9805 2922:20 Seq 1.90, 2.01 A assign (resid 90 and name HA) (resid 95 and name HD1*) 3.65 1.85 1.85 ! 0.5055 2925:20 Ambig 4.25, 5.68 A or (resid 95 and name HA) (resid 95 and name HD1*) ! 0.4945 2925:20 ----- 4.27, 4.66 A assign (resid 63 and name HA) (resid 64 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2926:20 Seq 2.52, 5.36 A assign (resid 90 and name HA) (resid 90 and name HD1*) 3.65 1.85 1.85 ! 0.5979 2927:20 Ambig 4.37, 4.65 A or (resid 95 and name HA) (resid 90 and name HD1*) ! 0.4021 2927:20 ----- 4.67, 5.60 A assign (resid 27 and name HB) (resid 28 and name HD1) 4.15 2.35 2.35 ! 0.0000 2929:20 Seq 3.65, 4.60 A assign (resid 66 and name HA) (resid 72 and name HD2) 4.15 2.35 2.35 ! 0.0000 2930:20 Long 5.06, 5.40 A assign (resid 27 and name HA) (resid 28 and name HD1) 2.65 0.85 0.85 ! 0.0000 2934:20 Seq 1.92, 2.20 A assign (resid 28 and name HA) (resid 28 and name HD1) 3.15 1.35 1.35 ! 0.0000 2935:20 Intra 3.09, 3.80 A assign (resid 27 and name HA) (resid 28 and name HD2) 3.15 1.35 1.35 ! 0.0000 2937:20 Ambig 1.93, 3.52 A or (resid 31 and name HA) (resid 32 and name HD2) ! 0.0000 2937:20 ----- 0.00, 0.00 A assign (resid 62 and name HB) (resid 110 and name HD2) 3.65 1.85 1.85 ! 0.7316 2938:20 Ambig 4.25, 4.71 A or (resid 60 and name HA) (resid 110 and name HD2) ! 0.1975 2938:20 ----- 5.28, 5.50 A assign (resid 123 and name HA) (resid 95 and name HD1*) 4.15 2.35 2.35 ! 0.5296 2950:20 Ambig 5.88, 7.04 A or (resid 114 and name HA) (resid 95 and name HD1*) ! 0.4704 2950:20 ----- 6.00, 7.35 A assign (resid 122 and name HA) (resid 122 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2951:20 Intra 2.12, 4.10 A assign (resid 116 and name HA2) (resid 122 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2952:20 Long 3.29, 5.21 A assign (resid 83 and name HA) (resid 83 and name HD1*) 2.65 0.85 0.85 ! 0.0000 2953:20 Intra 2.04, 2.96 A assign (resid 64 and name HA) (resid 64 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2954:20 Intra 2.95, 4.49 A assign (resid 75 and name HA2) (resid 64 and name HD1*) 3.15 1.35 1.35 ! 0.5043 2955:20 Ambig 2.97, 4.55 A or (resid 73 and name HA) (resid 64 and name HD1*) ! 0.3035 2955:20 ----- 3.24, 5.21 A or (resid 62 and name HB) (resid 64 and name HD1*) ! 0.1278 2955:20 ----- 3.74, 6.99 A assign (resid 118 and name HA) (resid 90 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2956:20 Long 2.92, 4.23 A assign (resid 116 and name HA2) (resid 90 and name HD1*) 3.65 1.85 1.85 ! 0.9234 2957:20 Long 2.91, 7.40 A assign (resid 109 and name HB2) (resid 110 and name HD2) 3.65 1.85 1.85 ! 0.9213 2964:20 Seq 3.78, 3.88 A assign (resid 112 and name HD2) (resid 95 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2975:20 Long 4.22, 6.53 A assign (resid 123 and name HD1) (resid 122 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2976:20 Seq 3.73, 6.01 A assign (resid 75 and name HA1) (resid 64 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2977:20 Long 2.18, 4.07 A assign (resid 72 and name HD2) (resid 64 and name HD1*) 4.15 2.35 2.35 ! 0.6681 2978:20 Ambig 5.92, 7.37 A or (resid 65 and name HA1) (resid 64 and name HD1*) ! 0.3319 2978:20 ----- 6.65, 7.30 A assign (resid 74 and name HA1) (resid 64 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2979:20 Long 2.93, 3.90 A assign (resid 78 and name HB2) (resid 78 and name HD2) 3.65 1.85 1.85 ! 0.0000 2980:20 Intra 3.30, 3.98 A assign (resid 72 and name HB2) (resid 72 and name HD2) 3.15 1.35 1.35 ! 0.5142 2981:20 Ambig 2.85, 2.90 A or (resid 48 and name HB2) (resid 48 and name HD2) ! 0.4729 2981:20 ----- 2.89, 3.41 A assign (resid 28 and name HB2) (resid 28 and name HD2) 3.65 1.85 1.85 ! 0.8661 2982:20 Ambig 3.56, 5.16 A or (resid 32 and name HB2) (resid 32 and name HD2) ! 0.0868 2982:20 ----- 5.22, 6.67 A assign (resid 112 and name HD1) (resid 95 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2985:20 Long 4.31, 6.48 A assign (resid 114 and name HB2) (resid 95 and name HD1*) 3.15 1.35 1.35 ! 0.5872 2986:20 Ambig 3.85, 5.13 A or (resid 114 and name HB1) (resid 95 and name HD1*) ! 0.4128 2986:20 ----- 4.09, 5.44 A assign (resid 115 and name HG1) (resid 122 and name HD1*) 4.15 2.35 2.35 ! 0.8892 2987:20 Ambig 2.33, 6.51 A or (resid 115 and name HG2) (resid 122 and name HD1*) ! 0.1108 2987:20 ----- 3.30, 6.61 A assign (resid 99 and name HB1) (resid 83 and name HD1*) 4.15 2.35 2.35 ! 0.6059 2988:20 Ambig 5.13, 6.95 A or (resid 102 and name HB1) (resid 83 and name HD1*) ! 0.2523 2988:20 ----- 5.94, 7.65 A or (resid 109 and name HB2) (resid 83 and name HD1*) ! 0.1418 2988:20 ----- 6.54, 7.86 A assign (resid 105 and name HB2) (resid 64 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2991:20 Long 4.25, 6.58 A assign (resid 105 and name HB1) (resid 64 and name HD1*) 3.15 1.35 1.35 ! 0.5850 2992:20 Ambig 3.49, 6.51 A or (resid 72 and name HB2) (resid 64 and name HD1*) ! 0.4150 2992:20 ----- 3.69, 4.86 A assign (resid 45 and name HB1) (resid 90 and name HD1*) 3.65 1.85 1.85 ! 0.6816 2993:20 Ambig 3.87, 5.79 A or (resid 37 and name HB1) (resid 90 and name HD1*) ! 0.3184 2993:20 ----- 4.39, 6.41 A assign (resid 45 and name HB2) (resid 90 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2994:20 Long 3.16, 4.92 A assign (resid 114 and name HB1) (resid 90 and name HD1*) 3.65 1.85 1.85 ! 0.7048 2995:20 Ambig 3.57, 5.32 A or (resid 114 and name HB2) (resid 90 and name HD1*) ! 0.2673 2995:20 ----- 4.19, 5.97 A assign (resid 110 and name HG2) (resid 110 and name HD1) 3.15 1.35 1.35 ! 0.8694 2996:20 Ambig 2.97, 2.98 A or (resid 63 and name HB*) (resid 110 and name HD1) ! 0.0726 2996:20 ----- 4.50, 5.62 A assign (resid 48 and name HG*) (resid 48 and name HD2) 2.30 0.50 0.50 ! 0.5032 2999:20 Ambig 2.28, 2.60 A or (resid 72 and name HG*) (resid 72 and name HD2) ! 0.4775 2999:20 ----- 2.29, 2.65 A assign (resid 78 and name HG2) (resid 78 and name HD2) 2.30 0.50 0.50 ! 0.9750 3000:20 Intra 2.25, 2.28 A assign (resid 123 and name HG*) (resid 123 and name HD1) 2.65 0.85 0.85 ! 0.0000 3001:20 Intra 2.25, 2.54 A assign (resid 59 and name HG*) (resid 59 and name HD1) 2.30 0.50 0.50 ! 0.0000 3002:20 Intra 2.28, 2.49 A assign (resid 59 and name HB1) (resid 59 and name HD1) 3.15 1.35 1.35 ! 0.0000 3003:20 Intra 4.01, 4.04 A assign (resid 110 and name HG2) (resid 110 and name HD2) 2.30 0.50 0.50 ! 0.9738 3004:20 Intra 2.30, 2.31 A assign (resid 59 and name HG*) (resid 59 and name HD2) 2.65 0.85 0.85 ! 0.0000 3006:20 Intra 2.30, 2.66 A assign (resid 58 and name HB1) (resid 59 and name HD2) 3.15 1.35 1.35 ! 0.9979 3007:20 Seq 2.59, 3.64 A assign (resid 58 and name HB1) (resid 59 and name HD1) 3.65 1.85 1.85 ! 0.9696 3008:20 Seq 3.27, 3.95 A assign (resid 123 and name HG*) (resid 123 and name HD2) 3.15 1.35 1.35 ! 0.9855 3010:20 Intra 2.25, 2.59 A assign (resid 121 and name HB2) (resid 95 and name HD1*) 3.65 1.85 1.85 ! 0.0000 3013:20 Long 2.51, 5.11 A assign (resid 121 and name HB1) (resid 95 and name HD1*) 3.65 1.85 1.85 ! 0.0000 3014:20 Long 3.14, 5.46 A assign (resid 115 and name HB1) (resid 122 and name HD1*) 4.15 2.35 2.35 ! 0.9938 3015:20 Long 2.47, 5.25 A assign (resid 115 and name HB2) (resid 122 and name HD1*) 4.15 2.35 2.35 ! 0.0000 3016:20 Long 2.33, 5.42 A assign (resid 122 and name HB) (resid 122 and name HD1*) 2.65 0.85 0.85 ! 0.0000 3017:20 Intra 2.56, 3.43 A assign (resid 78 and name HG1) (resid 83 and name HD1*) 4.15 2.35 2.35 ! 0.6896 3019:20 Ambig 5.60, 7.45 A or (resid 84 and name HB) (resid 83 and name HD1*) ! 0.3104 3019:20 ----- 6.39, 7.36 A assign (resid 83 and name HB) (resid 83 and name HD1*) 2.65 0.85 0.85 ! 0.8181 3020:20 Ambig 3.76, 3.95 A or (resid 77 and name HG) (resid 83 and name HD1*) ! 0.1819 3020:20 ----- 4.83, 6.13 A assign (resid 63 and name HB*) (resid 64 and name HD1*) 3.65 1.85 1.85 ! 0.5929 3021:20 Ambig 4.47, 7.39 A or (resid 73 and name HB) (resid 64 and name HD1*) ! 0.2610 3021:20 ----- 5.13, 6.97 A or (resid 72 and name HG*) (resid 64 and name HD1*) ! 0.1461 3021:20 ----- 5.65, 7.20 A assign (resid 64 and name HB) (resid 64 and name HD1*) 2.65 0.85 0.85 ! 0.0000 3022:20 Intra 2.52, 3.15 A assign (resid 118 and name HD1) (resid 90 and name HD1*) 3.15 1.35 1.35 ! 0.5569 3023:20 Ambig 2.90, 4.15 A or (resid 121 and name HB2) (resid 90 and name HD1*) ! 0.4165 3023:20 ----- 3.04, 4.10 A assign (resid 121 and name HB1) (resid 90 and name HD1*) 3.65 1.85 1.85 ! 0.0000 3024:20 Long 2.08, 3.08 A assign (resid 110 and name HG1) (resid 110 and name HD1) 3.15 1.35 1.35 ! 0.7922 3025:20 Ambig 2.29, 2.31 A or (resid 62 and name HG2*) (resid 110 and name HD1) ! 0.2065 3025:20 ----- 2.87, 4.39 A assign (resid 60 and name HG2*) (resid 110 and name HD1) 3.15 1.35 1.35 ! 0.9231 3026:20 Long 3.52, 4.22 A assign (resid 77 and name HD2*) (resid 78 and name HD2) 3.65 1.85 1.85 ! 0.8950 3027:20 Ambig 5.19, 5.53 A or (resid 79 and name HB*) (resid 78 and name HD2) ! 0.1050 3027:20 ----- 7.42, 7.97 A assign (resid 81 and name HB*) (resid 78 and name HD2) 3.15 1.35 1.35 ! 0.9607 3028:20 Mid 2.62, 3.57 A assign (resid 77 and name HD1*) (resid 78 and name HD2) 3.15 1.35 1.35 ! 0.9996 3029:20 Seq 1.92, 3.15 A assign (resid 47 and name HB1) (resid 48 and name HD2) 3.15 1.35 1.35 ! 0.0000 3030:20 Seq 3.71, 4.10 A assign (resid 47 and name HB2) (resid 48 and name HD1) 3.15 1.35 1.35 ! 0.8252 3031:20 Ambig 3.00, 3.55 A or (resid 47 and name HB1) (resid 48 and name HD1) ! 0.1648 3031:20 ----- 3.92, 4.40 A assign (resid 62 and name HG2*) (resid 110 and name HD2) 3.15 1.35 1.35 ! 0.7088 3032:20 Ambig 2.29, 3.79 A or (resid 110 and name HG1) (resid 110 and name HD2) ! 0.2864 3032:20 ----- 2.66, 2.70 A assign (resid 60 and name HG2*) (resid 110 and name HD2) 3.15 1.35 1.35 ! 0.9500 3033:20 Long 2.21, 2.89 A assign (resid 79 and name HB*) (resid 59 and name HD2) 3.65 1.85 1.85 ! 0.0000 3034:20 Long 3.83, 5.37 A assign (resid 79 and name HB*) (resid 59 and name HD1) 3.65 1.85 1.85 ! 0.0000 3035:20 Long 2.25, 3.77 A assign (resid 122 and name HG11) (resid 123 and name HD2) 4.15 2.35 2.35 ! 0.0000 3036:20 Seq 5.19, 5.64 A assign (resid 122 and name HG2*) (resid 123 and name HD2) 3.15 1.35 1.35 ! 0.8520 3037:20 Ambig 2.82, 3.88 A or (resid 122 and name HD1*) (resid 123 and name HD2) ! 0.1480 3037:20 ----- 3.78, 6.02 A assign (resid 95 and name HG12) (resid 95 and name HD1*) 2.65 0.85 0.85 ! 0.9344 3041:20 Intra 2.41, 2.62 A assign (resid 122 and name HG12) (resid 122 and name HD1*) 2.65 0.85 0.85 ! 0.0000 3042:20 Intra 2.39, 2.62 A assign (resid 81 and name HB*) (resid 83 and name HD1*) 3.15 1.35 1.35 ! 0.9951 3045:20 Mid 2.57, 4.79 A assign (resid 83 and name HG12) (resid 83 and name HD1*) 2.30 0.50 0.50 ! 0.9577 3046:20 Intra 2.41, 2.62 A assign (resid 83 and name HG11) (resid 83 and name HD1*) 2.30 0.50 0.50 ! 0.9829 3047:20 Intra 2.41, 2.63 A assign (resid 64 and name HG12) (resid 64 and name HD1*) 2.65 0.85 0.85 ! 0.0000 3048:20 Intra 2.39, 2.62 A assign (resid 64 and name HG11) (resid 64 and name HD1*) 2.30 0.50 0.50 ! 0.0000 3050:20 Intra 2.40, 2.63 A assign (resid 90 and name HG12) (resid 90 and name HD1*) 2.65 0.85 0.85 ! 0.6130 3053:20 Ambig 2.39, 2.62 A or (resid 90 and name HB) (resid 90 and name HD1*) ! 0.3804 3053:20 ----- 2.58, 3.19 A assign (resid 118 and name HD2) (resid 90 and name HD1*) 4.15 2.35 2.35 ! 0.0000 3054:20 Long 4.43, 5.64 A assign (resid 90 and name HG11) (resid 90 and name HD11) 2.65 0.85 0.85 ! 0.7607 3055:20 Ambig 1.99, 3.62 A or (resid 90 and name HG11) (resid 90 and name HD1*) ! 0.2393 3055:20 ----- 2.42, 2.63 A assign (resid 47 and name HG2) (resid 48 and name HD2) 4.15 2.35 2.35 ! 0.0000 3056:20 Seq 4.55, 5.22 A assign (resid 47 and name HG2) (resid 48 and name HD1) 4.15 2.35 2.35 ! 0.0000 3057:20 Seq 5.14, 5.56 A assign (resid 47 and name HG1) (resid 48 and name HD1) 3.65 1.85 1.85 ! 0.0000 3058:20 Seq 4.19, 4.79 A assign (resid 47 and name HG1) (resid 48 and name HD2) 3.65 1.85 1.85 ! 0.0000 3059:20 Seq 3.26, 4.17 A assign (resid 111 and name HG2*) (resid 95 and name HD1*) 3.65 1.85 1.85 ! 0.0000 3062:20 Long 3.90, 5.67 A assign (resid 83 and name HG2*) (resid 83 and name HD1*) 2.65 0.85 0.85 ! 0.9979 3063:20 Intra 2.11, 3.70 A assign (resid 107 and name HG2*) (resid 64 and name HD1*) 3.15 1.35 1.35 ! 0.0000 3064:20 Long 3.57, 5.88 A assign (resid 118 and name HB2) (resid 90 and name HD1*) 4.15 2.35 2.35 ! 0.0000 3065:20 Long 3.90, 5.93 A assign (resid 118 and name HG2) (resid 90 and name HD1*) 4.15 2.35 2.35 ! 0.9462 3066:20 Long 3.60, 4.99 A assign (resid 110 and name HB1) (resid 110 and name HD2) 3.65 1.85 1.85 ! 0.0000 3067:20 Intra 3.80, 3.86 A assign (resid 90 and name HD1*) (resid 95 and name HD1*) 3.15 1.35 1.35 ! 0.0000 3069:20 Long 3.02, 5.21 A assign (resid 45 and name HE1) (resid 118 and name HD2) 4.15 2.35 2.35 ! 0.9858 3072:20 Long 3.46, 4.03 A assign (resid 65 and name HN) (resid 65 and name HA1) 2.65 0.85 0.85 ! 0.0000 3074:20 Intra 2.81, 2.84 A assign (resid 120 and name HN) (resid 119 and name HD1) 3.65 1.85 1.85 ! 0.0000 3075:20 Seq 3.52, 3.78 A assign (resid 120 and name HN) (resid 119 and name HD2) 3.65 1.85 1.85 ! 0.9584 3076:20 Seq 2.27, 2.57 A assign (resid 66 and name HN) (resid 65 and name HA1) 3.65 1.85 1.85 ! 0.0000 3077:20 Seq 3.02, 3.09 A assign (resid 120 and name HD21) (resid 119 and name HD2) 4.15 2.35 2.35 ! 0.9928 3079:20 Seq 2.62, 5.09 A assign (resid 45 and name HD1) (resid 118 and name HD1) 3.65 1.85 1.85 ! 0.8275 3080:20 Ambig 3.61, 4.08 A or (resid 45 and name HZ2) (resid 118 and name HD1) ! 0.0812 3080:20 ----- 5.32, 6.61 A assign (resid 45 and name HD1) (resid 118 and name HD2) 3.65 1.85 1.85 ! 0.7590 3081:20 Ambig 3.18, 3.92 A or (resid 45 and name HZ2) (resid 118 and name HD2) ! 0.2065 3081:20 ----- 3.94, 5.09 A assign (resid 42 and name HD*) (resid 67 and name HD2) 4.15 2.35 2.35 ! 0.9310 3084:20 Long 2.32, 4.27 A assign (resid 42 and name HD*) (resid 67 and name HD1) 4.15 2.35 2.35 ! 0.9547 3085:20 Long 2.76, 5.11 A assign (resid 108 and name HE*) (resid 67 and name HD2) 3.65 1.85 1.85 ! 0.4774 3086:20 Ambig 4.45, 5.55 A or (resid 91 and name HE22) (resid 67 and name HD2) ! 0.3135 3086:20 ----- 4.77, 5.16 A or (resid 108 and name HD*) (resid 67 and name HD2) ! 0.2090 3086:20 ----- 5.10, 5.99 A assign (resid 108 and name HE*) (resid 67 and name HD1) 3.65 1.85 1.85 ! 0.9952 3087:20 Long 2.68, 4.03 A assign (resid 119 and name HA) (resid 119 and name HD1) 3.15 1.35 1.35 ! 0.0000 3089:20 Intra 3.76, 3.94 A assign (resid 34 and name HA) (resid 119 and name HD2) 3.15 1.35 1.35 ! 0.5172 3090:20 Ambig 3.79, 5.85 A or (resid 119 and name HA) (resid 119 and name HD2) ! 0.4736 3090:20 ----- 3.85, 3.96 A assign (resid 66 and name HA) (resid 67 and name HD2) 3.15 1.35 1.35 ! 0.9907 3091:20 Seq 2.57, 2.79 A assign (resid 118 and name HA) (resid 118 and name HD1) 3.65 1.85 1.85 ! 0.8831 3092:20 Ambig 3.39, 3.51 A or (resid 121 and name HA) (resid 118 and name HD1) ! 0.0730 3092:20 ----- 5.13, 5.65 A assign (resid 117 and name HA) (resid 118 and name HD1) 3.15 1.35 1.35 ! 0.9913 3093:20 Seq 1.98, 2.10 A assign (resid 66 and name HA) (resid 67 and name HD1) 3.15 1.35 1.35 ! 0.9995 3094:20 Seq 1.88, 1.96 A assign (resid 117 and name HA) (resid 118 and name HD2) 3.15 1.35 1.35 ! 0.9963 3095:20 Seq 2.16, 2.43 A assign (resid 66 and name HB2) (resid 67 and name HD2) 3.15 1.35 1.35 ! 0.8297 3098:20 Ambig 4.21, 4.47 A or (resid 40 and name HB2) (resid 67 and name HD2) ! 0.0820 3098:20 ----- 6.19, 6.75 A assign (resid 66 and name HB1) (resid 67 and name HD2) 3.15 1.35 1.35 ! 0.0000 3099:20 Seq 2.76, 3.07 A assign (resid 66 and name HB2) (resid 67 and name HD1) 3.65 1.85 1.85 ! 0.7325 3101:20 Ambig 4.41, 4.60 A or (resid 65 and name HA1) (resid 67 and name HD1) ! 0.1087 3101:20 ----- 6.06, 6.27 A or (resid 40 and name HB2) (resid 67 and name HD1) ! 0.0875 3101:20 ----- 6.29, 6.92 A assign (resid 66 and name HB1) (resid 67 and name HD1) 3.15 1.35 1.35 ! 0.0000 3102:20 Seq 3.27, 3.63 A assign (resid 119 and name HB2) (resid 119 and name HD1) 3.65 1.85 1.85 ! 0.0000 3103:20 Intra 3.86, 4.03 A assign (resid 119 and name HB2) (resid 119 and name HD2) 3.15 1.35 1.35 ! 0.0000 3104:20 Intra 2.81, 3.56 A assign (resid 45 and name HB1) (resid 118 and name HD2) 4.15 2.35 2.35 ! 0.7818 3106:20 Ambig 4.09, 4.66 A or (resid 37 and name HB1) (resid 118 and name HD2) ! 0.2182 3106:20 ----- 5.06, 5.71 A assign (resid 106 and name HB2) (resid 65 and name HA1) 4.15 2.35 2.35 ! 0.0000 3108:20 Long 5.14, 5.89 A assign (resid 64 and name HB) (resid 65 and name HA1) 3.65 1.85 1.85 ! 0.0000 3109:20 Seq 4.56, 4.72 A assign (resid 33 and name HB) (resid 119 and name HD1) 3.15 1.35 1.35 ! 0.7395 3110:20 Ambig 2.51, 5.53 A or (resid 119 and name HB1) (resid 119 and name HD1) ! 0.2588 3110:20 ----- 2.99, 3.58 A assign (resid 33 and name HB) (resid 119 and name HD2) 3.15 1.35 1.35 ! 0.7402 3111:20 Ambig 3.17, 6.60 A or (resid 119 and name HB1) (resid 119 and name HD2) ! 0.2541 3111:20 ----- 3.79, 3.89 A assign (resid 119 and name HG2) (resid 119 and name HD1) 2.65 0.85 0.85 ! 0.9572 3112:20 Intra 2.63, 2.82 A assign (resid 119 and name HG2) (resid 119 and name HD2) 2.65 0.85 0.85 ! 0.0000 3113:20 Intra 2.25, 2.29 A assign (resid 119 and name HG1) (resid 119 and name HD1) 2.65 0.85 0.85 ! 0.0000 3114:20 Intra 2.26, 2.30 A assign (resid 119 and name HG1) (resid 119 and name HD2) 3.15 1.35 1.35 ! 0.0000 3115:20 Intra 2.74, 2.89 A assign (resid 64 and name HG2*) (resid 65 and name HA1) 3.15 1.35 1.35 ! 0.0000 3120:20 Seq 2.98, 4.10 A assign (resid 118 and name HB1) (resid 119 and name HD1) 4.15 2.35 2.35 ! 0.0000 3123:20 Seq 4.75, 4.98 A assign (resid 33 and name HG2*) (resid 119 and name HD2) 4.15 2.35 2.35 ! 0.7822 3124:20 Ambig 2.29, 6.35 A or (resid 33 and name HG1*) (resid 119 and name HD2) ! 0.2131 3124:20 ----- 2.84, 7.03 A assign (resid 67 and name HG2) (resid 67 and name HD2) 3.15 1.35 1.35 ! 0.9986 3125:20 Intra 2.24, 2.27 A assign (resid 67 and name HG1) (resid 67 and name HD2) 3.15 1.35 1.35 ! 0.0000 3126:20 Intra 2.85, 2.93 A assign (resid 118 and name HB1) (resid 118 and name HD1) 3.65 1.85 1.85 ! 0.9958 3128:20 Intra 2.95, 3.99 A assign (resid 90 and name HG2*) (resid 118 and name HD1) 3.15 1.35 1.35 ! 0.8958 3129:20 Ambig 2.51, 4.08 A or (resid 117 and name HG1*) (resid 118 and name HD1) ! 0.0891 3129:20 ----- 3.69, 4.83 A assign (resid 117 and name HG2*) (resid 118 and name HD1) 3.65 1.85 1.85 ! 0.0000 3131:20 Seq 4.55, 5.56 A assign (resid 67 and name HG2) (resid 67 and name HD1) 3.15 1.35 1.35 ! 0.0000 3132:20 Intra 2.66, 2.77 A assign (resid 67 and name HG1) (resid 67 and name HD1) 3.15 1.35 1.35 ! 0.0000 3133:20 Intra 2.24, 2.26 A assign (resid 117 and name HB) (resid 118 and name HD2) 3.65 1.85 1.85 ! 0.9939 3134:20 Seq 2.48, 3.27 A assign (resid 117 and name HG1*) (resid 118 and name HD2) 3.15 1.35 1.35 ! 0.9560 3135:20 Seq 2.41, 4.30 A assign (resid 117 and name HG2*) (resid 118 and name HD2) 3.65 1.85 1.85 ! 0.0000 3136:20 Seq 4.18, 5.16 A assign (resid 118 and name HB2) (resid 118 and name HD1) 3.65 1.85 1.85 ! 0.0000 3137:20 Intra 3.79, 3.83 A assign (resid 118 and name HG2) (resid 118 and name HD1) 3.15 1.35 1.35 ! 0.9975 3138:20 Intra 2.67, 2.71 A assign (resid 118 and name HB2) (resid 118 and name HD2) 3.15 1.35 1.35 ! 0.0000 3139:20 Intra 2.85, 2.99 A assign (resid 118 and name HG2) (resid 118 and name HD2) 3.15 1.35 1.35 ! 0.9976 3140:20 Intra 2.27, 2.30 A assign (resid 67 and name HB*) (resid 67 and name HD2) 3.65 1.85 1.85 ! 0.0000 3142:20 Intra 3.11, 3.74 A assign (resid 118 and name HG1) (resid 118 and name HD1) 2.65 0.85 0.85 ! 0.8129 3143:20 Ambig 2.27, 2.29 A or (resid 90 and name HD1*) (resid 118 and name HD1) ! 0.1871 3143:20 ----- 2.90, 4.15 A assign (resid 67 and name HB*) (resid 67 and name HD1) 3.65 1.85 1.85 ! 0.0000 3144:20 Intra 3.39, 3.88 A assign (resid 118 and name HG1) (resid 118 and name HD2) 2.65 0.85 0.85 ! 0.9549 3145:20 Intra 2.67, 2.97 A assign (resid 46 and name HN) (resid 46 and name HA) 3.65 1.85 1.85 ! 0.0000 3146:20 Intra 2.90, 2.93 A assign (resid 90 and name HN) (resid 89 and name HA) 3.15 1.35 1.35 ! 0.0000 3147:20 Seq 2.16, 2.22 A assign (resid 89 and name HN) (resid 89 and name HA) 3.65 1.85 1.85 ! 0.0000 3148:20 Intra 2.90, 2.93 A assign (resid 47 and name HN) (resid 46 and name HA) 3.15 1.35 1.35 ! 0.9993 3149:20 Seq 2.17, 2.25 A assign (resid 37 and name HE3) (resid 46 and name HA) 3.15 1.35 1.35 ! 0.9963 3150:20 Long 2.19, 2.70 A assign (resid 46 and name HD*) (resid 46 and name HA) 3.15 1.35 1.35 ! 0.0000 3151:20 Intra 3.95, 4.22 A assign (resid 37 and name HZ3) (resid 89 and name HA) 2.65 0.85 0.85 ! 0.7524 3152:20 Ambig 1.97, 2.62 A or (resid 37 and name HZ3) (resid 46 and name HA) ! 0.2476 3152:20 ----- 2.37, 2.72 A assign (resid 45 and name HA) (resid 46 and name HA) 3.65 1.85 1.85 ! 0.3725 3153:20 Ambig 4.35, 4.38 A or (resid 88 and name HA) (resid 89 and name HA) ! 0.3700 3153:20 ----- 4.36, 4.40 A or (resid 45 and name HA) (resid 89 and name HA) ! 0.1384 3153:20 ----- 5.13, 5.29 A or (resid 88 and name HA) (resid 46 and name HA) ! 0.1191 3153:20 ----- 5.26, 5.40 A assign (resid 46 and name HB2) (resid 46 and name HA) 3.15 1.35 1.35 ! 0.0000 3154:20 Intra 2.36, 2.41 A assign (resid 46 and name HB1) (resid 46 and name HA) 2.65 0.85 0.85 ! 0.3791 3155:20 Ambig 2.44, 2.49 A or (resid 89 and name HB2) (resid 89 and name HA) ! 0.3368 3155:20 ----- 2.49, 2.94 A or (resid 46 and name HB1) (resid 89 and name HA) ! 0.1978 3155:20 ----- 2.72, 3.13 A assign (resid 89 and name HB1) (resid 89 and name HA) 3.15 1.35 1.35 ! 0.0000 3156:20 Intra 2.34, 2.43 A assign (resid 88 and name HG1*) (resid 89 and name HA) 3.15 1.35 1.35 ! 0.3796 3157:20 Ambig 3.50, 4.84 A or (resid 90 and name HG11) (resid 89 and name HA) ! 0.3222 3157:20 ----- 3.59, 3.89 A or (resid 90 and name HG11) (resid 46 and name HA) ! 0.1153 3157:20 ----- 4.26, 4.79 A or (resid 88 and name HG1*) (resid 46 and name HA) ! 0.1109 3157:20 ----- 4.29, 5.69 A assign (resid 44 and name HG2*) (resid 89 and name HA) 3.15 1.35 1.35 ! 0.7176 3158:20 Ambig 3.21, 4.18 A or (resid 44 and name HG2*) (resid 46 and name HA) ! 0.1730 3158:20 ----- 4.07, 5.26 A or (resid 95 and name HG11) (resid 89 and name HA) ! 0.0723 3158:20 ----- 4.71, 5.03 A assign (resid 90 and name HB) (resid 89 and name HA) 3.65 1.85 1.85 ! 0.7640 3159:20 Ambig 4.51, 4.64 A or (resid 95 and name HG12) (resid 89 and name HA) ! 0.2360 3159:20 ----- 5.49, 5.87 A assign (resid 96 and name HN) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.0000 3160:20 Long 4.84, 5.04 A assign (resid 89 and name HN) (resid 88 and name HA) 2.65 0.85 0.85 ! 0.0000 3161:20 Seq 2.13, 2.19 A assign (resid 98 and name HN) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.0000 3162:20 Long 2.87, 3.23 A assign (resid 88 and name HN) (resid 88 and name HA) 3.15 1.35 1.35 ! 0.9490 3163:20 Intra 2.93, 2.94 A assign (resid 89 and name HA) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.7564 3164:20 Ambig 4.36, 4.40 A or (resid 46 and name HA) (resid 88 and name HA) ! 0.2436 3164:20 ----- 5.26, 5.40 A assign (resid 97 and name HA) (resid 88 and name HA) 3.15 1.35 1.35 ! 0.9930 3165:20 Long 2.29, 2.58 A assign (resid 87 and name HA) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.8110 3166:20 Ambig 4.35, 4.41 A or (resid 98 and name HA2) (resid 88 and name HA) ! 0.1890 3166:20 ----- 5.54, 5.98 A assign (resid 87 and name HG2) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.7556 3167:20 Ambig 3.79, 4.12 A or (resid 89 and name HB1) (resid 88 and name HA) ! 0.2444 3167:20 ----- 4.57, 5.42 A assign (resid 88 and name HB) (resid 88 and name HA) 3.15 1.35 1.35 ! 0.9138 3168:20 Intra 3.03, 3.04 A assign (resid 97 and name HB) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.0000 3169:20 Long 4.20, 4.38 A assign (resid 88 and name HG2*) (resid 88 and name HA) 2.65 0.85 0.85 ! 0.9754 3170:20 Intra 2.48, 3.16 A assign (resid 97 and name HG2*) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.0000 3171:20 Long 3.18, 4.44 A assign (resid 46 and name HN) (resid 45 and name HA) 3.15 1.35 1.35 ! 0.0000 3172:20 Seq 2.15, 2.20 A assign (resid 38 and name HN) (resid 45 and name HA) 3.65 1.85 1.85 ! 0.0000 3173:20 Long 3.79, 4.22 A assign (resid 40 and name HN) (resid 45 and name HA) 3.65 1.85 1.85 ! 0.0000 3174:20 Long 2.82, 3.11 A assign (resid 45 and name HN) (resid 45 and name HA) 3.65 1.85 1.85 ! 0.9902 3175:20 Intra 2.89, 2.92 A assign (resid 46 and name HD*) (resid 45 and name HA) 3.65 1.85 1.85 ! 0.0000 3176:20 Seq 3.04, 5.07 A assign (resid 37 and name HZ3) (resid 45 and name HA) 4.15 2.35 2.35 ! 0.5152 3177:20 Ambig 5.17, 5.73 A or (resid 45 and name HZ3) (resid 45 and name HA) ! 0.4848 3177:20 ----- 5.22, 5.47 A assign (resid 45 and name HE3) (resid 45 and name HA) 3.15 1.35 1.35 ! 0.0000 3178:20 Intra 3.15, 3.39 A assign (resid 46 and name HA) (resid 45 and name HA) 4.15 2.35 2.35 ! 0.7291 3179:20 Ambig 4.35, 4.38 A or (resid 89 and name HA) (resid 45 and name HA) ! 0.2709 3179:20 ----- 5.13, 5.29 A assign (resid 39 and name HA) (resid 45 and name HA) 2.65 0.85 0.85 ! 0.9994 3180:20 Long 2.00, 2.18 A assign (resid 46 and name HB2) (resid 45 and name HA) 3.65 1.85 1.85 ! 0.6054 3181:20 Ambig 5.53, 5.62 A or (resid 43 and name HA2) (resid 45 and name HA) ! 0.3946 3181:20 ----- 5.94, 6.25 A assign (resid 45 and name HB1) (resid 45 and name HA) 3.15 1.35 1.35 ! 0.9180 3182:20 Intra 2.45, 2.51 A assign (resid 45 and name HB2) (resid 45 and name HA) 3.15 1.35 1.35 ! 0.7781 3183:20 Ambig 3.00, 3.02 A or (resid 46 and name HB1) (resid 45 and name HA) ! 0.1040 3183:20 ----- 4.20, 4.37 A or (resid 40 and name HB1) (resid 45 and name HA) ! 0.0912 3183:20 ----- 4.29, 4.93 A assign (resid 44 and name HG2*) (resid 45 and name HA) 3.65 1.85 1.85 ! 0.7146 3184:20 Ambig 4.10, 5.20 A or (resid 39 and name HD1) (resid 45 and name HA) ! 0.2854 3184:20 ----- 4.78, 6.07 A assign (resid 39 and name HB2) (resid 45 and name HA) 3.65 1.85 1.85 ! 0.8440 3185:20 Ambig 3.23, 3.98 A or (resid 39 and name HG2) (resid 45 and name HA) ! 0.1153 3185:20 ----- 4.49, 4.84 A assign (resid 39 and name HG1) (resid 45 and name HA) 3.65 1.85 1.85 ! 0.8679 3186:20 Ambig 3.24, 3.71 A or (resid 118 and name HG2) (resid 45 and name HA) ! 0.1321 3186:20 ----- 4.44, 4.77 A assign (resid 39 and name HB1) (resid 45 and name HA) 3.65 1.85 1.85 ! 0.5361 3187:20 Ambig 4.52, 5.04 A or (resid 118 and name HG1) (resid 45 and name HA) ! 0.3644 3187:20 ----- 4.82, 5.65 A assign (resid 89 and name HN) (resid 97 and name HA) 3.65 1.85 1.85 ! 0.0000 3192:20 Long 3.03, 3.24 A assign (resid 98 and name HN) (resid 97 and name HA) 2.65 0.85 0.85 ! 0.0000 3193:20 Seq 2.07, 2.11 A assign (resid 97 and name HN) (resid 97 and name HA) 3.15 1.35 1.35 ! 0.9677 3194:20 Intra 2.91, 2.92 A assign (resid 88 and name HA) (resid 97 and name HA) 3.15 1.35 1.35 ! 0.0000 3196:20 Long 2.29, 2.58 A assign (resid 97 and name HB) (resid 97 and name HA) 3.15 1.35 1.35 ! 0.0000 3198:20 Intra 2.45, 2.47 A assign (resid 97 and name HG11) (resid 97 and name HA) 3.15 1.35 1.35 ! 0.0000 3199:20 Intra 3.69, 3.70 A assign (resid 97 and name HG2*) (resid 97 and name HA) 2.65 0.85 0.85 ! 0.0000 3200:20 Intra 2.48, 3.08 A assign (resid 97 and name HD1*) (resid 97 and name HA) 3.65 1.85 1.85 ! 0.5364 3201:20 Ambig 4.85, 5.13 A or (resid 111 and name HG2*) (resid 97 and name HA) ! 0.4636 3201:20 ----- 4.97, 5.79 A assign (resid 111 and name HG1*) (resid 97 and name HA) 4.15 2.35 2.35 ! 0.0000 3202:20 Long 5.27, 6.09 A assign (resid 131 and name HN) (resid 130 and name HA) 2.65 0.85 0.85 ! 0.0000 3204:20 Seq 2.11, 2.16 A assign (resid 130 and name HN) (resid 130 and name HA) 3.15 1.35 1.35 ! 0.0000 3205:20 Intra 2.89, 2.92 A assign (resid 52 and name HN) (resid 130 and name HA) 4.15 2.35 2.35 ! 0.0000 3206:20 Long 4.88, 5.18 A assign (resid 130 and name HD*) (resid 130 and name HA) 3.15 1.35 1.35 ! 0.0000 3207:20 Intra 2.98, 3.55 A assign (resid 53 and name HA) (resid 130 and name HA) 2.65 0.85 0.85 ! 0.0000 3208:20 Long 2.30, 2.48 A assign (resid 130 and name HB2) (resid 130 and name HA) 3.15 1.35 1.35 ! 0.0000 3209:20 Intra 3.01, 3.02 A assign (resid 130 and name HB1) (resid 130 and name HA) 3.15 1.35 1.35 ! 0.9859 3210:20 Intra 2.45, 2.49 A assign (resid 131 and name HB1) (resid 130 and name HA) 3.65 1.85 1.85 ! 0.6693 3211:20 Ambig 4.31, 5.17 A or (resid 54 and name HB) (resid 130 and name HA) ! 0.3307 3211:20 ----- 4.85, 5.35 A assign (resid 131 and name HG*) (resid 130 and name HA) 4.15 2.35 2.35 ! 0.0000 3212:20 Seq 3.66, 5.34 A assign (resid 129 and name HG1*) (resid 130 and name HA) 3.65 1.85 1.85 ! 0.9497 3213:20 Seq 4.01, 5.08 A assign (resid 109 and name HN) (resid 108 and name HA) 2.65 0.85 0.85 ! 0.0000 3214:20 Seq 2.06, 2.10 A assign (resid 53 and name HN) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.0000 3215:20 Intra 2.91, 2.92 A assign (resid 131 and name HN) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.0000 3216:20 Long 2.80, 3.13 A assign (resid 108 and name HN) (resid 108 and name HA) 3.15 1.35 1.35 ! 0.8604 3217:20 Ambig 2.92, 2.93 A or (resid 97 and name HN) (resid 108 and name HA) ! 0.1396 3217:20 ----- 3.95, 4.05 A assign (resid 99 and name HN) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.9861 3218:20 Long 3.46, 3.65 A assign (resid 86 and name HN) (resid 85 and name HA) 3.15 1.35 1.35 ! 0.8608 3219:20 Ambig 2.10, 2.25 A or (resid 85 and name HN) (resid 85 and name HA) ! 0.1274 3219:20 ----- 2.89, 2.92 A assign (resid 54 and name HN) (resid 53 and name HA) 2.65 0.85 0.85 ! 0.0000 3220:20 Seq 2.08, 2.12 A assign (resid 85 and name HD*) (resid 85 and name HA) 4.15 2.35 2.35 ! 0.0000 3221:20 Intra 4.11, 4.24 A assign (resid 87 and name HN) (resid 85 and name HA) 3.65 1.85 1.85 ! 0.8280 3222:20 Ambig 3.61, 3.91 A or (resid 84 and name HN) (resid 85 and name HA) ! 0.1720 3222:20 ----- 4.70, 4.96 A assign (resid 96 and name HE3) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.0000 3223:20 Long 3.86, 4.01 A assign (resid 99 and name HD*) (resid 85 and name HA) 3.65 1.85 1.85 ! 0.9546 3224:20 Long 3.78, 4.94 A assign (resid 51 and name HN) (resid 85 and name HA) 3.65 1.85 1.85 ! 0.0000 3225:20 Long 4.83, 4.95 A assign (resid 85 and name HE*) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.0000 3226:20 Long 2.89, 5.44 A assign (resid 108 and name HD*) (resid 108 and name HA) 3.15 1.35 1.35 ! 0.7916 3227:20 Ambig 2.75, 3.51 A or (resid 99 and name HE*) (resid 108 and name HA) ! 0.2084 3227:20 ----- 3.43, 5.44 A assign (resid 98 and name HA2) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.9950 3231:20 Long 2.46, 2.68 A assign (resid 52 and name HA) (resid 85 and name HA) 3.65 1.85 1.85 ! 0.4493 3232:20 Ambig 5.57, 5.79 A or (resid 98 and name HA2) (resid 85 and name HA) ! 0.3704 3232:20 ----- 5.75, 6.11 A or (resid 87 and name HA) (resid 85 and name HA) ! 0.1803 3232:20 ----- 6.48, 6.72 A assign (resid 99 and name HA) (resid 85 and name HA) 3.65 1.85 1.85 ! 0.0000 3233:20 Long 3.01, 3.49 A assign (resid 130 and name HA) (resid 53 and name HA) 3.15 1.35 1.35 ! 0.0000 3234:20 Long 2.30, 2.48 A assign (resid 85 and name HB2) (resid 85 and name HA) 3.65 1.85 1.85 ! 0.0000 3235:20 Intra 2.47, 2.50 A assign (resid 99 and name HB2) (resid 85 and name HA) 3.65 1.85 1.85 ! 0.0000 3236:20 Long 2.73, 3.29 A assign (resid 98 and name HA1) (resid 108 and name HA) 3.15 1.35 1.35 ! 0.6466 3238:20 Ambig 4.00, 4.28 A or (resid 109 and name HB2) (resid 108 and name HA) ! 0.3534 3238:20 ----- 4.43, 4.51 A assign (resid 108 and name HB2) (resid 108 and name HA) 3.15 1.35 1.35 ! 0.7762 3239:20 Ambig 3.01, 3.02 A or (resid 96 and name HB1) (resid 108 and name HA) ! 0.2238 3239:20 ----- 3.70, 3.87 A assign (resid 99 and name HB1) (resid 85 and name HA) 3.65 1.85 1.85 ! 0.9856 3240:20 Long 1.95, 2.35 A assign (resid 85 and name HB1) (resid 85 and name HA) 3.15 1.35 1.35 ! 0.9945 3241:20 Intra 2.34, 2.39 A assign (resid 53 and name HB1) (resid 53 and name HA) 3.15 1.35 1.35 ! 0.8855 3242:20 Ambig 3.03, 3.03 A or (resid 130 and name HB1) (resid 53 and name HA) ! 0.1145 3242:20 ----- 4.26, 4.61 A assign (resid 53 and name HB2) (resid 53 and name HA) 3.15 1.35 1.35 ! 0.9906 3243:20 Intra 2.41, 2.44 A assign (resid 108 and name HB1) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.9879 3245:20 Intra 2.46, 2.53 A assign (resid 131 and name HB1) (resid 53 and name HA) 3.15 1.35 1.35 ! 0.5226 3246:20 Ambig 4.14, 5.54 A or (resid 54 and name HB) (resid 53 and name HA) ! 0.3051 3246:20 ----- 4.53, 4.64 A or (resid 83 and name HB) (resid 53 and name HA) ! 0.1549 3246:20 ----- 5.07, 5.62 A assign (resid 107 and name HG1*) (resid 108 and name HA) 3.65 1.85 1.85 ! 0.7539 3247:20 Ambig 3.80, 4.89 A or (resid 107 and name HB) (resid 108 and name HA) ! 0.2461 3247:20 ----- 4.59, 4.75 A assign (resid 84 and name HG2*) (resid 85 and name HA) 3.65 1.85 1.85 ! 0.5375 3248:20 Ambig 3.91, 5.07 A or (resid 84 and name HG1*) (resid 85 and name HA) ! 0.4448 3248:20 ----- 4.04, 5.25 A assign (resid 52 and name HG2*) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.8340 3249:20 Ambig 3.68, 4.94 A or (resid 82 and name HG2*) (resid 53 and name HA) ! 0.1660 3249:20 ----- 4.81, 6.59 A assign (resid 129 and name HG1*) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.7269 3250:20 Ambig 5.26, 6.40 A or (resid 129 and name HG2*) (resid 53 and name HA) ! 0.1664 3250:20 ----- 6.72, 7.45 A or (resid 83 and name HG11) (resid 53 and name HA) ! 0.1067 3250:20 ----- 7.24, 7.79 A assign (resid 83 and name HG2*) (resid 85 and name HA) 3.15 1.35 1.35 ! 0.7110 3251:20 Ambig 3.57, 4.62 A or (resid 97 and name HD1*) (resid 85 and name HA) ! 0.2890 3251:20 ----- 4.14, 5.61 A assign (resid 97 and name HD1*) (resid 53 and name HA) 3.65 1.85 1.85 ! 0.7081 3252:20 Ambig 4.93, 5.71 A or (resid 83 and name HG2*) (resid 53 and name HA) ! 0.1753 3252:20 ----- 6.22, 7.61 A or (resid 111 and name HG2*) (resid 53 and name HA) ! 0.1166 3252:20 ----- 6.66, 7.95 A assign (resid 110 and name HB1) (resid 96 and name HA) 3.65 1.85 1.85 ! 0.5747 3253:20 Ambig 4.84, 5.09 A or (resid 67 and name HB*) (resid 96 and name HA) ! 0.4253 3253:20 ----- 5.09, 5.79 A assign (resid 96 and name HN) (resid 96 and name HA) 3.65 1.85 1.85 ! 0.0000 3254:20 Intra 2.90, 2.93 A assign (resid 77 and name HN) (resid 76 and name HA) 2.65 0.85 0.85 ! 0.0000 3255:20 Seq 2.06, 2.14 A assign (resid 109 and name HN) (resid 109 and name HA) 3.65 1.85 1.85 ! 0.8575 3256:20 Ambig 2.93, 2.94 A or (resid 109 and name HN) (resid 96 and name HA) ! 0.1425 3256:20 ----- 3.95, 4.10 A assign (resid 63 and name HN) (resid 63 and name HA) 3.65 1.85 1.85 ! 0.9762 3257:20 Intra 2.92, 2.93 A assign (resid 97 and name HN) (resid 96 and name HA) 3.15 1.35 1.35 ! 0.8807 3258:20 Ambig 2.07, 2.12 A or (resid 86 and name HN) (resid 86 and name HA) ! 0.1098 3258:20 ----- 2.93, 2.95 A assign (resid 111 and name HN) (resid 96 and name HA) 3.65 1.85 1.85 ! 0.9291 3259:20 Long 4.46, 4.68 A assign (resid 64 and name HN) (resid 63 and name HA) 3.15 1.35 1.35 ! 0.8590 3261:20 Ambig 2.12, 2.22 A or (resid 76 and name HN) (resid 76 and name HA) ! 0.1276 3261:20 ----- 2.91, 2.93 A assign (resid 87 and name HN) (resid 86 and name HA) 3.65 1.85 1.85 ! 0.7063 3263:20 Ambig 3.24, 3.39 A or (resid 50 and name HN) (resid 86 and name HA) ! 0.2053 3263:20 ----- 3.98, 4.52 A assign (resid 62 and name HN) (resid 76 and name HA) 3.15 1.35 1.35 ! 0.9859 3264:20 Long 2.38, 2.75 A assign (resid 96 and name HE3) (resid 96 and name HA) 3.65 1.85 1.85 ! 0.3815 3266:20 Ambig 3.23, 3.47 A or (resid 96 and name HE3) (resid 109 and name HA) ! 0.3368 3266:20 ----- 3.30, 3.54 A or (resid 51 and name HN) (resid 86 and name HA) ! 0.2729 3266:20 ----- 3.42, 4.03 A assign (resid 50 and name HD22) (resid 86 and name HA) 3.65 1.85 1.85 ! 0.9092 3267:20 Long 2.36, 3.98 A assign (resid 62 and name HA) (resid 109 and name HA) 3.15 1.35 1.35 ! 0.9958 3268:20 Long 2.61, 2.85 A assign (resid 110 and name HD1) (resid 109 and name HA) 2.65 0.85 0.85 ! 0.7358 3269:20 Ambig 2.24, 2.30 A or (resid 110 and name HA) (resid 96 and name HA) ! 0.2460 3269:20 ----- 2.68, 2.88 A assign (resid 61 and name HA) (resid 76 and name HA) 2.65 0.85 0.85 ! 0.9996 3270:20 Long 1.91, 2.28 A assign (resid 110 and name HD2) (resid 109 and name HA) 3.15 1.35 1.35 ! 0.9989 3271:20 Seq 2.19, 2.28 A assign (resid 63 and name HD1) (resid 63 and name HA) 3.15 1.35 1.35 ! 0.0000 3272:20 Intra 2.01, 2.24 A assign (resid 96 and name HB1) (resid 96 and name HA) 3.65 1.85 1.85 ! 0.9940 3273:20 Intra 2.42, 2.46 A assign (resid 86 and name HB2) (resid 86 and name HA) 2.65 0.85 0.85 ! 0.5709 3274:20 Ambig 2.33, 2.49 A or (resid 109 and name HB2) (resid 109 and name HA) ! 0.4221 3274:20 ----- 2.45, 2.48 A assign (resid 50 and name HB*) (resid 86 and name HA) 2.65 0.85 0.85 ! 0.6314 3275:20 Ambig 2.73, 4.00 A or (resid 109 and name HB1) (resid 109 and name HA) ! 0.3324 3275:20 ----- 3.03, 3.04 A assign (resid 86 and name HB1) (resid 86 and name HA) 2.65 0.85 0.85 ! 0.9623 3276:20 Intra 2.38, 2.79 A assign (resid 63 and name HB*) (resid 63 and name HA) 3.15 1.35 1.35 ! 0.8898 3278:20 Ambig 2.39, 2.73 A or (resid 61 and name HB) (resid 76 and name HA) ! 0.0714 3278:20 ----- 3.64, 4.26 A assign (resid 71 and name HB*) (resid 63 and name HA) 3.65 1.85 1.85 ! 0.6056 3279:20 Ambig 4.03, 4.86 A or (resid 64 and name HB) (resid 63 and name HA) ! 0.3944 3279:20 ----- 4.33, 4.52 A assign (resid 76 and name HB1) (resid 76 and name HA) 3.15 1.35 1.35 ! 0.9604 3280:20 Intra 3.01, 3.03 A assign (resid 62 and name HG2*) (resid 109 and name HA) 3.15 1.35 1.35 ! 0.9906 3282:20 Long 1.96, 3.10 A assign (resid 60 and name HG2*) (resid 109 and name HA) 3.15 1.35 1.35 ! 0.8803 3283:20 Ambig 4.05, 4.89 A or (resid 60 and name HD1*) (resid 109 and name HA) ! 0.1197 3283:20 ----- 5.64, 6.66 A assign (resid 62 and name HG2*) (resid 76 and name HA) 3.15 1.35 1.35 ! 0.6292 3284:20 Ambig 3.35, 4.79 A or (resid 62 and name HG2*) (resid 63 and name HA) ! 0.1500 3284:20 ----- 4.25, 6.52 A or (resid 77 and name HB1) (resid 76 and name HA) ! 0.1180 3284:20 ----- 4.43, 4.52 A or (resid 64 and name HG12) (resid 63 and name HA) ! 0.0947 3284:20 ----- 4.59, 4.87 A assign (resid 61 and name HG2*) (resid 76 and name HA) 3.15 1.35 1.35 ! 0.3448 3285:20 Ambig 3.02, 4.82 A or (resid 61 and name HG1*) (resid 76 and name HA) ! 0.2564 3285:20 ----- 3.17, 5.81 A or (resid 64 and name HG11) (resid 63 and name HA) ! 0.2322 3285:20 ----- 3.23, 3.67 A or (resid 73 and name HG1*) (resid 63 and name HA) ! 0.0617 3285:20 ----- 4.03, 5.90 A or (resid 73 and name HG2*) (resid 63 and name HA) ! 0.0532 3285:20 ----- 4.13, 6.19 A assign (resid 111 and name HG2*) (resid 96 and name HA) 3.65 1.85 1.85 ! 0.9921 3286:20 Long 2.74, 4.09 A assign (resid 50 and name HN) (resid 50 and name HA) 3.65 1.85 1.85 ! 0.9025 3287:20 Intra 2.90, 2.92 A assign (resid 50 and name HD21) (resid 50 and name HA) 3.65 1.85 1.85 ! 0.0000 3288:20 Intra 1.86, 2.85 A assign (resid 51 and name HN) (resid 50 and name HA) 3.15 1.35 1.35 ! 0.0000 3289:20 Seq 2.03, 2.09 A assign (resid 86 and name HB2) (resid 50 and name HA) 4.15 2.35 2.35 ! 0.9546 3294:20 Long 4.10, 4.67 A assign (resid 50 and name HB*) (resid 50 and name HA) 3.15 1.35 1.35 ! 0.9954 3295:20 Intra 2.44, 2.76 A assign (resid 86 and name HB1) (resid 50 and name HA) 4.15 2.35 2.35 ! 0.9519 3296:20 Long 3.85, 5.05 A assign (resid 49 and name HG2) (resid 50 and name HA) 3.15 1.35 1.35 ! 0.5313 3297:20 Ambig 4.18, 4.87 A or (resid 49 and name HB*) (resid 50 and name HA) ! 0.4407 3297:20 ----- 4.32, 5.34 A assign (resid 84 and name HG2*) (resid 50 and name HA) 4.15 2.35 2.35 ! 0.9472 3298:20 Long 3.77, 4.79 A assign (resid 88 and name HG2*) (resid 50 and name HA) 4.15 2.35 2.35 ! 0.0000 3299:20 Long 4.94, 6.00 A assign (resid 78 and name HD1) (resid 77 and name HD1*) 2.65 0.85 0.85 ! 0.9221 3300:20 Seq 2.96, 4.64 A assign (resid 96 and name HN) (resid 95 and name HA) 2.65 0.85 0.85 ! 0.9992 3301:20 Seq 2.09, 2.19 A assign (resid 91 and name HN) (resid 90 and name HA) 3.15 1.35 1.35 ! 0.9991 3302:20 Seq 2.01, 2.07 A assign (resid 95 and name HN) (resid 95 and name HA) 3.65 1.85 1.85 ! 0.0000 3303:20 Intra 2.89, 2.91 A assign (resid 96 and name HD1) (resid 95 and name HA) 3.65 1.85 1.85 ! 0.0000 3304:20 Seq 2.88, 3.08 A assign (resid 89 and name HN) (resid 95 and name HA) 3.65 1.85 1.85 ! 0.0000 3305:20 Long 4.68, 4.96 A assign (resid 65 and name HN) (resid 107 and name HA) 3.65 1.85 1.85 ! 0.9828 3306:20 Long 2.33, 2.87 A assign (resid 108 and name HN) (resid 107 and name HA) 2.65 0.85 0.85 ! 0.0000 3307:20 Seq 2.15, 2.20 A assign (resid 127 and name HE3) (resid 111 and name HA) 3.15 1.35 1.35 ! 0.0000 3308:20 Long 2.70, 3.01 A assign (resid 112 and name HN) (resid 111 and name HA) 3.65 1.85 1.85 ! 0.6392 3309:20 Ambig 3.51, 3.55 A or (resid 127 and name HZ3) (resid 111 and name HA) ! 0.3372 3309:20 ----- 3.90, 4.37 A assign (resid 129 and name HN) (resid 129 and name HA) 3.15 1.35 1.35 ! 0.0000 3310:20 Intra 2.93, 2.94 A assign (resid 109 and name HA) (resid 62 and name HA) 3.15 1.35 1.35 ! 0.9240 3311:20 Long 2.61, 2.85 A assign (resid 96 and name HA) (resid 95 and name HA) 3.65 1.85 1.85 ! 0.9206 3312:20 Seq 4.29, 4.32 A assign (resid 127 and name HB1) (resid 111 and name HA) 4.15 2.35 2.35 ! 0.0000 3313:20 Long 4.91, 5.48 A assign (resid 130 and name HB1) (resid 129 and name HA) 4.15 2.35 2.35 ! 0.0000 3314:20 Seq 5.59, 5.66 A assign (resid 111 and name HB) (resid 111 and name HA) 3.15 1.35 1.35 ! 0.0000 3315:20 Intra 2.42, 2.46 A assign (resid 34 and name HG2*) (resid 34 and name HA) 3.15 1.35 1.35 ! 0.3545 3316:20 Ambig 2.33, 3.07 A or (resid 22 and name HG2*) (resid 22 and name HA) ! 0.3235 3316:20 ----- 2.37, 3.12 A or (resid 11 and name HG2*) (resid 11 and name HA) ! 0.3186 3316:20 ----- 2.38, 3.25 A assign (resid 107 and name HG1*) (resid 107 and name HA) 3.65 1.85 1.85 ! 0.7533 3317:20 Ambig 2.46, 3.11 A or (resid 107 and name HB) (resid 107 and name HA) ! 0.2198 3317:20 ----- 3.02, 3.04 A assign (resid 107 and name HG2*) (resid 107 and name HA) 3.15 1.35 1.35 ! 0.0000 3318:20 Intra 2.48, 3.18 A assign (resid 111 and name HG2*) (resid 111 and name HA) 3.15 1.35 1.35 ! 0.9228 3319:20 Intra 3.64, 3.90 A assign (resid 111 and name HG1*) (resid 111 and name HA) 2.65 0.85 0.85 ! 0.0000 3320:20 Intra 2.35, 2.98 A assign (resid 129 and name HG1*) (resid 129 and name HA) 2.30 0.50 0.50 ! 0.5132 3321:20 Ambig 2.53, 3.13 A or (resid 129 and name HG2*) (resid 129 and name HA) ! 0.4868 3321:20 ----- 2.55, 3.18 A assign (resid 90 and name HG12) (resid 95 and name HA) 2.65 0.85 0.85 ! 0.7535 3322:20 Ambig 2.53, 3.12 A or (resid 95 and name HG12) (resid 95 and name HA) ! 0.2218 3322:20 ----- 3.10, 3.17 A assign (resid 95 and name HG2*) (resid 95 and name HA) 2.65 0.85 0.85 ! 0.4197 3323:20 Ambig 3.71, 3.94 A or (resid 90 and name HG11) (resid 95 and name HA) ! 0.3210 3323:20 ----- 3.88, 4.32 A or (resid 95 and name HD1*) (resid 95 and name HA) ! 0.1807 3323:20 ----- 4.27, 4.66 A assign (resid 114 and name HB1) (resid 95 and name HA) 3.65 1.85 1.85 ! 0.5472 3324:20 Ambig 3.40, 4.60 A or (resid 114 and name HB2) (resid 95 and name HA) ! 0.4044 3324:20 ----- 3.57, 3.96 A assign (resid 54 and name HG1*) (resid 54 and name HA) 2.65 0.85 0.85 ! 0.9967 3325:20 Intra 2.47, 3.10 A assign (resid 114 and name HB2) (resid 114 and name HA) 3.15 1.35 1.35 ! 0.5227 3326:20 Ambig 2.46, 2.87 A or (resid 114 and name HB1) (resid 114 and name HA) ! 0.4773 3326:20 ----- 2.50, 2.69 A assign (resid 102 and name HB1) (resid 102 and name HA) 2.30 0.50 0.50 ! 0.5557 3327:20 Ambig 2.34, 2.42 A or (resid 102 and name HB2) (resid 102 and name HA) ! 0.4443 3327:20 ----- 2.43, 2.48 A assign (resid 55 and name HN) (resid 54 and name HA) 2.65 0.85 0.85 ! 0.0000 3328:20 Seq 2.09, 2.15 A assign (resid 65 and name HN) (resid 64 and name HA) 2.65 0.85 0.85 ! 0.9925 3329:20 Seq 2.08, 2.13 A assign (resid 83 and name HN) (resid 54 and name HA) 3.15 1.35 1.35 ! 0.0000 3330:20 Long 3.04, 3.37 A assign (resid 115 and name HN) (resid 114 and name HA) 3.15 1.35 1.35 ! 0.8848 3331:20 Ambig 2.02, 2.12 A or (resid 114 and name HN) (resid 114 and name HA) ! 0.1152 3331:20 ----- 2.84, 2.87 A assign (resid 64 and name HN) (resid 64 and name HA) 3.65 1.85 1.85 ! 0.9960 3332:20 Intra 2.90, 2.92 A assign (resid 103 and name HN) (resid 102 and name HA) 3.65 1.85 1.85 ! 0.0000 3333:20 Seq 3.28, 3.43 A assign (resid 102 and name HD*) (resid 102 and name HA) 3.65 1.85 1.85 ! 0.0000 3334:20 Intra 4.01, 4.23 A assign (resid 104 and name HN) (resid 102 and name HA) 3.65 1.85 1.85 ! 0.9290 3335:20 Mid 3.42, 3.68 A assign (resid 82 and name HA) (resid 54 and name HA) 3.15 1.35 1.35 ! 0.9987 3336:20 Long 2.15, 2.29 A assign (resid 124 and name HN) (resid 114 and name HA) 3.65 1.85 1.85 ! 0.9446 3337:20 Long 2.98, 3.33 A assign (resid 121 and name HB2) (resid 114 and name HA) 3.65 1.85 1.85 ! 0.7107 3339:20 Ambig 3.58, 4.85 A or (resid 115 and name HB1) (resid 114 and name HA) ! 0.2157 3339:20 ----- 4.37, 5.12 A assign (resid 131 and name HG*) (resid 131 and name HA) 2.65 0.85 0.85 ! 0.0000 3340:20 Intra 2.50, 3.09 A assign (resid 131 and name HB1) (resid 131 and name HA) 2.65 0.85 0.85 ! 0.9966 3341:20 Intra 2.43, 2.71 A assign (resid 131 and name HB2) (resid 131 and name HA) 2.65 0.85 0.85 ! 0.9955 3342:20 Intra 2.43, 2.82 A assign (resid 131 and name HN) (resid 131 and name HA) 3.15 1.35 1.35 ! 0.0000 3343:20 Intra 2.88, 2.91 A assign (resid 69 and name HD2*) (resid 69 and name HA) 2.65 0.85 0.85 ! 0.0000 3344:20 Intra 2.07, 3.34 A assign (resid 9 and name HB*) (resid 9 and name HA) 2.65 0.85 0.85 ! 0.6863 3345:20 Ambig 2.35, 2.70 A or (resid 69 and name HB2) (resid 69 and name HA) ! 0.1545 3345:20 ----- 3.01, 3.02 A or (resid 69 and name HG) (resid 69 and name HA) ! 0.1482 3345:20 ----- 3.03, 3.46 A assign (resid 69 and name HD1*) (resid 69 and name HA) 3.65 1.85 1.85 ! 0.0000 3346:20 Intra 2.03, 3.89 A assign (resid 96 and name HH2) (resid 69 and name HA) 3.65 1.85 1.85 ! 0.8875 3347:20 Ambig 3.02, 3.43 A or (resid 68 and name HN) (resid 69 and name HA) ! 0.1125 3347:20 ----- 4.26, 4.34 A assign (resid 96 and name HZ2) (resid 69 and name HA) 3.65 1.85 1.85 ! 0.9913 3348:20 Long 2.41, 3.19 A assign (resid 70 and name HN) (resid 69 and name HA) 3.65 1.85 1.85 ! 0.9811 3349:20 Seq 3.30, 3.40 A assign (resid 71 and name HN) (resid 69 and name HA) 3.65 1.85 1.85 ! 0.9867 3350:20 Mid 3.35, 3.63 A assign (resid 19 and name HN) (resid 18 and name HA) 3.15 1.35 1.35 ! 0.5165 3351:20 Ambig 2.09, 2.74 A or (resid 9 and name HN) (resid 9 and name HA) ! 0.3620 3351:20 ----- 2.22, 2.81 A or (resid 69 and name HN) (resid 69 and name HA) ! 0.0779 3351:20 ----- 2.86, 2.89 A assign (resid 122 and name HN) (resid 121 and name HA) 2.65 0.85 0.85 ! 0.0000 3352:20 Seq 2.10, 2.15 A assign (resid 121 and name HN) (resid 121 and name HA) 3.15 1.35 1.35 ! 0.9272 3353:20 Intra 2.90, 2.92 A assign (resid 69 and name HN) (resid 68 and name HA) 3.15 1.35 1.35 ! 0.9977 3354:20 Seq 2.35, 2.47 A assign (resid 115 and name HN) (resid 121 and name HA) 3.65 1.85 1.85 ! 0.9626 3355:20 Long 4.10, 4.70 A assign (resid 117 and name HN) (resid 121 and name HA) 3.65 1.85 1.85 ! 0.8990 3356:20 Ambig 2.96, 3.95 A or (resid 120 and name HD21) (resid 121 and name HA) ! 0.1010 3356:20 ----- 4.25, 6.41 A assign (resid 70 and name HN) (resid 68 and name HA) 3.65 1.85 1.85 ! 0.0000 3357:20 Mid 3.80, 4.03 A assign (resid 68 and name HD*) (resid 68 and name HA) 3.15 1.35 1.35 ! 0.9708 3358:20 Intra 2.63, 3.59 A assign (resid 68 and name HN) (resid 68 and name HA) 3.15 1.35 1.35 ! 0.9807 3359:20 Intra 2.80, 2.82 A assign (resid 88 and name HN) (resid 87 and name HA) 3.15 1.35 1.35 ! 0.9868 3360:20 Seq 2.05, 2.18 A assign (resid 127 and name HN) (resid 127 and name HA) 3.15 1.35 1.35 ! 0.0000 3361:20 Intra 2.91, 2.93 A assign (resid 127 and name HE1) (resid 127 and name HA) 3.65 1.85 1.85 ! 0.0000 3362:20 Intra 4.79, 4.86 A assign (resid 87 and name HN) (resid 87 and name HA) 3.65 1.85 1.85 ! 0.0000 3363:20 Intra 2.90, 2.92 A assign (resid 49 and name HN) (resid 87 and name HA) 3.15 1.35 1.35 ! 0.0000 3364:20 Long 2.02, 2.75 A assign (resid 127 and name HE3) (resid 127 and name HA) 4.15 2.35 2.35 ! 0.0000 3365:20 Intra 4.73, 4.98 A assign (resid 127 and name HD1) (resid 127 and name HA) 2.65 0.85 0.85 ! 0.9970 3366:20 Intra 2.40, 2.64 A assign (resid 128 and name HN) (resid 127 and name HA) 3.15 1.35 1.35 ! 0.9971 3367:20 Seq 2.85, 3.05 A assign (resid 127 and name HB2) (resid 127 and name HA) 3.15 1.35 1.35 ! 0.8885 3368:20 Ambig 3.02, 3.03 A or (resid 56 and name HA1) (resid 127 and name HA) ! 0.1115 3368:20 ----- 4.27, 5.92 A assign (resid 127 and name HB1) (resid 127 and name HA) 3.15 1.35 1.35 ! 0.9768 3369:20 Intra 2.43, 2.46 A assign (resid 68 and name HB2) (resid 68 and name HA) 3.15 1.35 1.35 ! 0.9660 3371:20 Intra 3.05, 3.07 A assign (resid 68 and name HB1) (resid 68 and name HA) 3.15 1.35 1.35 ! 0.9632 3372:20 Intra 2.44, 2.51 A assign (resid 121 and name HB2) (resid 121 and name HA) 3.15 1.35 1.35 ! 0.9881 3373:20 Intra 2.46, 2.50 A assign (resid 69 and name HG) (resid 68 and name HA) 3.65 1.85 1.85 ! 0.7257 3374:20 Ambig 3.82, 4.86 A or (resid 69 and name HB2) (resid 68 and name HA) ! 0.2225 3374:20 ----- 4.65, 4.87 A assign (resid 121 and name HB1) (resid 121 and name HA) 2.65 0.85 0.85 ! 0.9752 3375:20 Intra 2.38, 2.42 A assign (resid 122 and name HD1*) (resid 121 and name HA) 3.65 1.85 1.85 ! 0.9230 3376:20 Seq 4.18, 5.84 A assign (resid 87 and name HG2) (resid 87 and name HA) 3.15 1.35 1.35 ! 0.9344 3377:20 Intra 3.00, 3.23 A assign (resid 87 and name HB2) (resid 87 and name HA) 3.15 1.35 1.35 ! 0.9758 3378:20 Intra 2.40, 2.45 A assign (resid 87 and name HB1) (resid 87 and name HA) 2.65 0.85 0.85 ! 0.8579 3379:20 Ambig 3.00, 3.01 A or (resid 88 and name HB) (resid 87 and name HA) ! 0.0818 3379:20 ----- 4.44, 4.63 A assign (resid 57 and name HB*) (resid 57 and name HA) 2.65 0.85 0.85 ! 0.9978 3381:20 Intra 2.35, 2.57 A assign (resid 32 and name HD1) (resid 31 and name HA) 3.15 1.35 1.35 ! 0.0000 3382:20 Seq 1.98, 3.37 A assign (resid 32 and name HD2) (resid 31 and name HA) 3.15 1.35 1.35 ! 0.0000 3383:20 Seq 1.93, 3.52 A assign (resid 92 and name HB*) (resid 92 and name HA) 2.65 0.85 0.85 ! 0.0000 3384:20 Intra 2.41, 2.63 A assign (resid 118 and name HB1) (resid 90 and name HD1*) 3.15 1.35 1.35 ! 0.9444 3385:20 Long 2.17, 4.75 A assign (resid 64 and name HG2*) (resid 65 and name HA2) 3.15 1.35 1.35 ! 0.0000 3386:20 Seq 3.55, 4.67 A assign (resid 106 and name HB1) (resid 65 and name HA2) 3.65 1.85 1.85 ! 0.9966 3387:20 Long 2.11, 2.70 A assign (resid 106 and name HB2) (resid 65 and name HA2) 3.65 1.85 1.85 ! 0.0000 3388:20 Long 3.67, 4.34 A assign (resid 66 and name HN) (resid 65 and name HA2) 3.15 1.35 1.35 ! 0.0000 3390:20 Seq 3.45, 3.48 A assign (resid 108 and name HE*) (resid 65 and name HA2) 3.65 1.85 1.85 ! 0.8530 3391:20 Ambig 2.72, 5.35 A or (resid 108 and name HD*) (resid 65 and name HA2) ! 0.1470 3391:20 ----- 3.65, 5.91 A assign (resid 106 and name HN) (resid 65 and name HA2) 4.15 2.35 2.35 ! 0.9618 3392:20 Long 3.21, 4.19 A assign (resid 65 and name HN) (resid 65 and name HA2) 3.15 1.35 1.35 ! 0.0000 3393:20 Intra 2.23, 2.27 A assign (resid 106 and name HN) (resid 65 and name HA1) 4.15 2.35 2.35 ! 0.0000 3394:20 Long 4.56, 5.27 A assign (resid 108 and name HE*) (resid 65 and name HA1) 3.65 1.85 1.85 ! 0.0000 3395:20 Long 4.00, 6.67 A assign (resid 77 and name HD1*) (resid 78 and name HD1) 3.15 1.35 1.35 ! 0.0000 3396:20 Seq 2.96, 4.64 A assign (resid 81 and name HB*) (resid 78 and name HD1) 3.15 1.35 1.35 ! 0.6957 3397:20 Ambig 4.16, 5.14 A or (resid 77 and name HB1) (resid 78 and name HD1) ! 0.3043 3397:20 ----- 4.77, 5.11 A assign (resid 78 and name HG1) (resid 78 and name HD1) 3.15 1.35 1.35 ! 0.7466 3398:20 Ambig 2.27, 2.30 A or (resid 78 and name HG2) (resid 78 and name HD1) ! 0.2389 3398:20 ----- 2.74, 2.97 A assign (resid 77 and name HA) (resid 78 and name HD1) 3.15 1.35 1.35 ! 0.9974 3400:20 Seq 2.02, 2.45 A assign (resid 52 and name HN) (resid 51 and name HA) 2.65 0.85 0.85 ! 0.0000 3401:20 Seq 2.48, 2.60 A assign (resid 51 and name HN) (resid 51 and name HA) 2.65 0.85 0.85 ! 0.0000 3402:20 Intra 2.80, 2.87 A assign (resid 103 and name HB2) (resid 103 and name HA) 3.15 1.35 1.35 ! 0.0000 3403:20 Intra 2.42, 2.54 A assign (resid 103 and name HB1) (resid 103 and name HA) 3.15 1.35 1.35 ! 0.0000 3404:20 Intra 2.41, 2.75 A assign (resid 51 and name HB*) (resid 51 and name HA) 2.65 0.85 0.85 ! 0.0000 3405:20 Intra 2.43, 2.65 A assign (resid 71 and name HB*) (resid 71 and name HA) 3.15 1.35 1.35 ! 0.9980 3406:20 Intra 2.42, 2.64 A assign (resid 72 and name HD1) (resid 71 and name HA) 2.65 0.85 0.85 ! 0.0000 3407:20 Seq 2.01, 2.13 A assign (resid 40 and name HB1) (resid 40 and name HA) 3.15 1.35 1.35 ! 0.0000 3408:20 Intra 2.42, 2.92 A assign (resid 46 and name HE*) (resid 40 and name HA) 3.65 1.85 1.85 ! 0.0000 3409:20 Long 2.27, 4.79 A assign (resid 46 and name HD*) (resid 40 and name HA) 3.65 1.85 1.85 ! 0.9043 3410:20 Long 3.43, 5.75 A assign (resid 40 and name HN) (resid 40 and name HA) 3.65 1.85 1.85 ! 0.0000 3411:20 Intra 2.84, 2.91 A assign (resid 101 and name HN) (resid 100 and name HA) 2.65 0.85 0.85 ! 0.9011 3412:20 Seq 2.00, 2.09 A assign (resid 107 and name HN) (resid 100 and name HA) 3.15 1.35 1.35 ! 0.0000 3413:20 Long 2.59, 3.12 A assign (resid 106 and name HA) (resid 100 and name HA) 3.15 1.35 1.35 ! 0.9821 3414:20 Long 2.27, 2.61 A assign (resid 100 and name HB2) (resid 100 and name HA) 3.15 1.35 1.35 ! 0.0000 3415:20 Intra 2.42, 2.75 A assign (resid 106 and name HD2) (resid 100 and name HA) 4.15 2.35 2.35 ! 0.9643 3416:20 Long 3.06, 4.16 A assign (resid 100 and name HB1) (resid 100 and name HA) 3.15 1.35 1.35 ! 0.0000 3417:20 Intra 2.40, 2.65 A assign (resid 101 and name HB*) (resid 100 and name HA) 3.65 1.85 1.85 ! 0.0000 3418:20 Seq 4.36, 4.90 A assign (resid 107 and name HG2*) (resid 100 and name HA) 3.65 1.85 1.85 ! 0.0000 3419:20 Long 3.43, 5.09 A assign (resid 29 and name HB*) (resid 29 and name HA) 2.65 0.85 0.85 ! 0.5084 3420:20 Ambig 2.41, 2.64 A or (resid 25 and name HB*) (resid 25 and name HA) ! 0.4916 3420:20 ----- 2.42, 2.64 A assign (resid 103 and name HN) (resid 103 and name HA) 3.65 1.85 1.85 ! 0.0000 3421:20 Intra 2.86, 2.90 A assign (resid 127 and name HN) (resid 126 and name HA) 2.65 0.85 0.85 ! 0.9963 3422:20 Seq 2.17, 2.22 A assign (resid 126 and name HN) (resid 126 and name HA) 3.15 1.35 1.35 ! 0.0000 3423:20 Intra 2.90, 2.91 A assign (resid 106 and name HN) (resid 105 and name HA) 3.15 1.35 1.35 ! 0.9960 3424:20 Seq 2.11, 2.20 A assign (resid 105 and name HN) (resid 105 and name HA) 3.65 1.85 1.85 ! 0.0000 3425:20 Intra 2.82, 2.89 A assign (resid 93 and name HN) (resid 92 and name HA) 3.15 1.35 1.35 ! 0.0000 3426:20 Seq 2.05, 2.11 A assign (resid 57 and name HN) (resid 57 and name HA) 2.65 0.85 0.85 ! 0.0000 3427:20 Intra 2.85, 2.91 A assign (resid 58 and name HN) (resid 57 and name HA) 3.15 1.35 1.35 ! 0.0000 3428:20 Seq 2.50, 3.32 A assign (resid 116 and name HN) (resid 115 and name HA) 3.15 1.35 1.35 ! 0.9993 3429:20 Seq 2.15, 2.35 A assign (resid 94 and name HN) (resid 115 and name HA) 4.15 2.35 2.35 ! 0.0000 3430:20 Long 4.28, 5.30 A assign (resid 107 and name HN) (resid 106 and name HA) 3.15 1.35 1.35 ! 0.8669 3431:20 Ambig 2.08, 2.16 A or (resid 106 and name HN) (resid 106 and name HA) ! 0.1331 3431:20 ----- 2.85, 2.89 A assign (resid 92 and name HN) (resid 91 and name HA) 3.15 1.35 1.35 ! 0.9979 3432:20 Seq 2.17, 2.24 A assign (resid 84 and name HN) (resid 83 and name HA) 2.65 0.85 0.85 ! 0.0000 3433:20 Seq 2.10, 2.17 A assign (resid 123 and name HD2) (resid 122 and name HA) 2.65 0.85 0.85 ! 0.0000 3434:20 Seq 2.25, 2.52 A assign (resid 6 and name HB2) (resid 6 and name HA) 3.15 1.35 1.35 ! 0.4965 3435:20 Ambig 2.44, 2.90 A or (resid 6 and name HB1) (resid 6 and name HA) ! 0.4892 3435:20 ----- 2.44, 2.63 A assign (resid 37 and name HB2) (resid 37 and name HA) 3.15 1.35 1.35 ! 0.0000 3436:20 Intra 3.00, 3.02 A assign (resid 37 and name HB1) (resid 37 and name HA) 3.15 1.35 1.35 ! 0.0000 3437:20 Intra 2.38, 2.48 A assign (resid 121 and name HB2) (resid 122 and name HA) 3.65 1.85 1.85 ! 0.6513 3438:20 Ambig 4.68, 4.84 A or (resid 123 and name HB2) (resid 122 and name HA) ! 0.3487 3438:20 ----- 5.20, 5.44 A assign (resid 83 and name HG2*) (resid 83 and name HA) 3.15 1.35 1.35 ! 0.9942 3439:20 Intra 2.53, 3.20 A assign (resid 83 and name HD1*) (resid 83 and name HA) 3.15 1.35 1.35 ! 0.0000 3440:20 Intra 2.04, 2.96 A assign (resid 122 and name HD1*) (resid 122 and name HA) 3.15 1.35 1.35 ! 0.7090 3441:20 Ambig 2.12, 4.10 A or (resid 122 and name HG2*) (resid 122 and name HA) ! 0.2910 3441:20 ----- 2.46, 3.12 A assign (resid 83 and name HG12) (resid 83 and name HA) 3.65 1.85 1.85 ! 0.7497 3442:20 Ambig 2.91, 3.09 A or (resid 52 and name HG2*) (resid 83 and name HA) ! 0.1291 3442:20 ----- 3.90, 5.24 A or (resid 82 and name HG2*) (resid 83 and name HA) ! 0.0964 3442:20 ----- 4.10, 5.19 A assign (resid 122 and name HG12) (resid 122 and name HA) 3.65 1.85 1.85 ! 0.0000 3443:20 Intra 2.54, 2.81 A assign (resid 122 and name HB) (resid 122 and name HA) 3.65 1.85 1.85 ! 0.8263 3444:20 Ambig 3.02, 3.04 A or (resid 123 and name HG*) (resid 122 and name HA) ! 0.1579 3444:20 ----- 3.98, 4.34 A assign (resid 83 and name HB) (resid 83 and name HA) 3.65 1.85 1.85 ! 0.9956 3445:20 Intra 3.01, 3.03 A assign (resid 84 and name HB) (resid 83 and name HA) 3.65 1.85 1.85 ! 0.0000 3446:20 Seq 4.50, 4.61 A assign (resid 37 and name HE3) (resid 37 and name HA) 3.15 1.35 1.35 ! 0.8506 3447:20 Ambig 2.89, 3.25 A or (resid 37 and name HD1) (resid 37 and name HA) ! 0.1494 3447:20 ----- 3.86, 4.16 A assign (resid 7 and name HN) (resid 6 and name HA) 2.65 0.85 0.85 ! 0.4481 3448:20 Ambig 2.07, 2.50 A or (resid 27 and name HN) (resid 26 and name HA) ! 0.4455 3448:20 ----- 2.08, 2.57 A or (resid 37 and name HN) (resid 37 and name HA) ! 0.0686 3448:20 ----- 2.83, 2.89 A assign (resid 122 and name HN) (resid 122 and name HA) 3.15 1.35 1.35 ! 0.0000 3449:20 Intra 2.89, 2.92 A assign (resid 83 and name HN) (resid 83 and name HA) 3.15 1.35 1.35 ! 0.0000 3450:20 Intra 2.93, 2.94 A assign (resid 83 and name HN) (resid 82 and name HA) 2.30 0.50 0.50 ! 0.5309 3451:20 Ambig 2.11, 2.18 A or (resid 53 and name HN) (resid 52 and name HA) ! 0.4571 3451:20 ----- 2.17, 2.24 A assign (resid 55 and name HN) (resid 82 and name HA) 3.15 1.35 1.35 ! 0.0000 3452:20 Long 3.00, 3.42 A assign (resid 82 and name HN) (resid 82 and name HA) 3.15 1.35 1.35 ! 0.0000 3453:20 Intra 2.90, 2.92 A assign (resid 84 and name HA) (resid 52 and name HA) 2.65 0.85 0.85 ! 0.9993 3454:20 Long 1.88, 2.04 A assign (resid 52 and name HG2*) (resid 52 and name HA) 2.65 0.85 0.85 ! 0.5295 3455:20 Ambig 2.34, 3.02 A or (resid 82 and name HG2*) (resid 82 and name HA) ! 0.4216 3455:20 ----- 2.43, 3.13 A assign (resid 54 and name HG2*) (resid 82 and name HA) 3.65 1.85 1.85 ! 0.9885 3456:20 Long 2.64, 4.12 A assign (resid 81 and name HB*) (resid 82 and name HA) 3.65 1.85 1.85 ! 0.5540 3457:20 Ambig 4.45, 5.14 A or (resid 51 and name HB*) (resid 52 and name HA) ! 0.4460 3457:20 ----- 4.62, 5.08 A assign (resid 131 and name HB1) (resid 52 and name HA) 3.65 1.85 1.85 ! 0.3206 3458:20 Ambig 4.36, 5.59 A or (resid 83 and name HB) (resid 82 and name HA) ! 0.2871 3458:20 ----- 4.44, 4.58 A or (resid 54 and name HB) (resid 82 and name HA) ! 0.2049 3458:20 ----- 4.70, 5.03 A or (resid 83 and name HB) (resid 52 and name HA) ! 0.1366 3458:20 ----- 5.03, 5.44 A assign (resid 90 and name HD1*) (resid 90 and name HA) 3.65 1.85 1.85 ! 0.7745 3459:20 Ambig 4.37, 4.65 A or (resid 118 and name HG1) (resid 90 and name HA) ! 0.2255 3459:20 ----- 5.37, 6.15 A assign (resid 118 and name HG1) (resid 118 and name HA) 3.65 1.85 1.85 ! 0.6163 3460:20 Ambig 2.70, 2.87 A or (resid 90 and name HD1*) (resid 118 and name HA) ! 0.3837 3460:20 ----- 2.92, 4.23 A assign (resid 118 and name HB2) (resid 118 and name HA) 3.15 1.35 1.35 ! 0.0000 3461:20 Intra 2.78, 2.98 A assign (resid 118 and name HG2) (resid 118 and name HA) 3.65 1.85 1.85 ! 0.9682 3462:20 Intra 3.76, 3.83 A assign (resid 118 and name HB1) (resid 118 and name HA) 3.15 1.35 1.35 ! 0.0000 3463:20 Intra 2.29, 2.32 A assign (resid 118 and name HD1) (resid 118 and name HA) 3.65 1.85 1.85 ! 0.7114 3465:20 Ambig 3.39, 3.51 A or (resid 119 and name HB1) (resid 118 and name HA) ! 0.2524 3465:20 ----- 4.03, 4.17 A assign (resid 119 and name HB2) (resid 118 and name HA) 3.65 1.85 1.85 ! 0.0000 3466:20 Seq 4.38, 4.44 A assign (resid 31 and name HN) (resid 30 and name HA) 3.15 1.35 1.35 ! 0.0000 3467:20 Seq 2.64, 3.22 A assign (resid 22 and name HN) (resid 22 and name HA) 3.65 1.85 1.85 ! 0.4927 3468:20 Ambig 2.18, 2.67 A or (resid 34 and name HN) (resid 34 and name HA) ! 0.4658 3468:20 ----- 2.20, 2.74 A assign (resid 12 and name HN) (resid 11 and name HA) 3.65 1.85 1.85 ! 0.4882 3469:20 Ambig 2.08, 2.73 A or (resid 35 and name HN) (resid 34 and name HA) ! 0.4167 3469:20 ----- 2.14, 2.75 A assign (resid 120 and name HN) (resid 118 and name HA) 3.15 1.35 1.35 ! 0.9770 3470:20 Mid 2.50, 2.99 A assign (resid 121 and name HN) (resid 118 and name HA) 4.15 2.35 2.35 ! 0.0000 3471:20 Mid 4.47, 4.98 A assign (resid 37 and name HD1) (resid 118 and name HA) 3.65 1.85 1.85 ! 0.7360 3472:20 Ambig 3.64, 4.53 A or (resid 37 and name HZ2) (resid 118 and name HA) ! 0.1396 3472:20 ----- 4.80, 5.33 A or (resid 37 and name HE3) (resid 118 and name HA) ! 0.0564 3472:20 ----- 5.58, 6.12 A assign (resid 79 and name HN) (resid 78 and name HA) 3.15 1.35 1.35 ! 0.0000 3473:20 Seq 2.21, 2.29 A assign (resid 73 and name HN) (resid 72 and name HA) 3.15 1.35 1.35 ! 0.9002 3474:20 Seq 2.05, 2.09 A assign (resid 33 and name HN) (resid 32 and name HA) 2.65 0.85 0.85 ! 0.9879 3475:20 Seq 2.11, 2.68 A assign (resid 115 and name HN) (resid 123 and name HA) 3.65 1.85 1.85 ! 0.0000 3476:20 Long 3.99, 4.31 A assign (resid 74 and name HN) (resid 73 and name HA) 2.65 0.85 0.85 ! 0.9119 3477:20 Seq 2.49, 2.56 A assign (resid 73 and name HN) (resid 73 and name HA) 3.65 1.85 1.85 ! 0.0000 3478:20 Intra 2.90, 2.92 A assign (resid 75 and name HN) (resid 73 and name HA) 3.65 1.85 1.85 ! 0.0000 3479:20 Mid 3.12, 3.44 A assign (resid 63 and name HA) (resid 73 and name HA) 3.15 1.35 1.35 ! 0.9972 3480:20 Long 2.59, 3.07 A assign (resid 37 and name HD1) (resid 119 and name HA) 3.65 1.85 1.85 ! 0.9204 3481:20 Long 2.43, 3.26 A assign (resid 120 and name HN) (resid 119 and name HA) 3.65 1.85 1.85 ! 0.7475 3482:20 Ambig 3.18, 3.33 A or (resid 35 and name HN) (resid 119 and name HA) ! 0.1772 3482:20 ----- 4.04, 6.84 A assign (resid 121 and name HN) (resid 119 and name HA) 3.65 1.85 1.85 ! 0.0000 3483:20 Mid 4.95, 5.09 A assign (resid 73 and name HG1*) (resid 73 and name HA) 2.65 0.85 0.85 ! 0.4626 3485:20 Ambig 2.44, 3.39 A or (resid 73 and name HG2*) (resid 73 and name HA) ! 0.4373 3485:20 ----- 2.47, 3.53 A or (resid 61 and name HG2*) (resid 73 and name HA) ! 0.1001 3485:20 ----- 3.15, 4.90 A assign (resid 73 and name HB) (resid 73 and name HA) 3.15 1.35 1.35 ! 0.9976 3486:20 Intra 2.45, 2.59 A assign (resid 63 and name HD1) (resid 73 and name HA) 3.15 1.35 1.35 ! 0.0000 3487:20 Long 2.19, 3.01 A assign (resid 64 and name HB) (resid 73 and name HA) 3.65 1.85 1.85 ! 0.7013 3488:20 Ambig 4.74, 5.15 A or (resid 71 and name HB*) (resid 73 and name HA) ! 0.2987 3488:20 ----- 5.46, 6.45 A assign (resid 31 and name HB1) (resid 28 and name HA) 3.65 1.85 1.85 ! 0.9536 3489:20 Mid 2.87, 4.89 A assign (resid 28 and name HB1) (resid 28 and name HA) 3.15 1.35 1.35 ! 0.5156 3490:20 Ambig 2.26, 2.29 A or (resid 72 and name HB1) (resid 72 and name HA) ! 0.4643 3490:20 ----- 2.30, 2.32 A assign (resid 28 and name HB2) (resid 28 and name HA) 2.65 0.85 0.85 ! 0.9707 3491:20 Intra 2.65, 2.76 A assign (resid 119 and name HG1) (resid 119 and name HA) 3.65 1.85 1.85 ! 0.0000 3492:20 Intra 3.14, 3.78 A assign (resid 118 and name HB2) (resid 119 and name HA) 3.15 1.35 1.35 ! 0.0000 3493:20 Seq 3.19, 3.76 A assign (resid 90 and name HD1*) (resid 119 and name HA) 3.65 1.85 1.85 ! 0.5358 3494:20 Ambig 3.82, 5.18 A or (resid 118 and name HG1) (resid 119 and name HA) ! 0.4642 3494:20 ----- 3.91, 4.24 A assign (resid 118 and name HG2) (resid 119 and name HA) 4.15 2.35 2.35 ! 0.0000 3495:20 Seq 4.81, 5.11 A assign (resid 118 and name HB1) (resid 119 and name HA) 3.15 1.35 1.35 ! 0.0000 3496:20 Seq 2.37, 2.73 A assign (resid 119 and name HG2) (resid 119 and name HA) 3.65 1.85 1.85 ! 0.0000 3497:20 Intra 3.80, 3.98 A assign (resid 119 and name HB1) (resid 119 and name HA) 2.65 0.85 0.85 ! 0.9878 3498:20 Intra 2.24, 2.29 A assign (resid 119 and name HB2) (resid 119 and name HA) 3.15 1.35 1.35 ! 0.0000 3499:20 Intra 2.63, 2.74 A assign (resid 119 and name HD1) (resid 119 and name HA) 3.65 1.85 1.85 ! 0.4124 3500:20 Ambig 3.76, 3.94 A or (resid 119 and name HD2) (resid 119 and name HA) ! 0.3603 3500:20 ----- 3.85, 3.96 A or (resid 37 and name HB2) (resid 119 and name HA) ! 0.2274 3500:20 ----- 4.15, 4.82 A assign (resid 74 and name HA1) (resid 73 and name HA) 3.65 1.85 1.85 ! 0.0000 3501:20 Seq 4.38, 4.44 A assign (resid 96 and name HB2) (resid 110 and name HA) 3.65 1.85 1.85 ! 0.7237 3502:20 Ambig 4.77, 5.05 A or (resid 109 and name HB2) (resid 110 and name HA) ! 0.1583 3502:20 ----- 6.15, 6.20 A or (resid 112 and name HA) (resid 110 and name HA) ! 0.1180 3502:20 ----- 6.46, 6.61 A assign (resid 95 and name HG2*) (resid 123 and name HA) 3.65 1.85 1.85 ! 0.7587 3503:20 Ambig 4.56, 5.89 A or (resid 95 and name HD1*) (resid 123 and name HA) ! 0.1637 3503:20 ----- 5.88, 7.04 A assign (resid 123 and name HG*) (resid 123 and name HA) 3.65 1.85 1.85 ! 0.9538 3504:20 Intra 3.25, 3.87 A assign (resid 123 and name HB2) (resid 123 and name HA) 2.65 0.85 0.85 ! 0.5372 3505:20 Ambig 2.67, 2.76 A or (resid 32 and name HG*) (resid 32 and name HA) ! 0.3281 3505:20 ----- 2.90, 3.74 A or (resid 28 and name HG*) (resid 32 and name HA) ! 0.1307 3505:20 ----- 3.38, 7.51 A assign (resid 28 and name HB1) (resid 32 and name HA) 3.15 1.35 1.35 ! 0.4950 3506:20 Ambig 2.01, 6.02 A or (resid 123 and name HB1) (resid 123 and name HA) ! 0.2579 3506:20 ----- 2.24, 2.29 A or (resid 32 and name HB1) (resid 32 and name HA) ! 0.2465 3506:20 ----- 2.26, 2.30 A assign (resid 28 and name HB2) (resid 32 and name HA) 3.15 1.35 1.35 ! 0.6330 3507:20 Ambig 2.19, 5.80 A or (resid 32 and name HB2) (resid 32 and name HA) ! 0.2066 3507:20 ----- 2.64, 2.85 A or (resid 114 and name HB2) (resid 123 and name HA) ! 0.1105 3507:20 ----- 2.93, 4.27 A assign (resid 107 and name HG1*) (resid 62 and name HB) 3.15 1.35 1.35 ! 0.9565 3508:20 Long 2.11, 2.78 A assign (resid 62 and name HG2*) (resid 62 and name HB) 3.15 1.35 1.35 ! 0.9769 3509:20 Intra 2.39, 2.64 A assign (resid 62 and name HA) (resid 62 and name HB) 3.15 1.35 1.35 ! 0.9976 3510:20 Intra 2.48, 2.56 A assign (resid 63 and name HN) (resid 62 and name HB) 3.15 1.35 1.35 ! 0.9987 3512:20 Seq 2.15, 2.47 A assign (resid 22 and name HG2*) (resid 22 and name HB) 2.65 0.85 0.85 ! 0.0000 3513:20 Intra 2.44, 2.66 A assign (resid 15 and name HG2*) (resid 15 and name HA) 3.15 1.35 1.35 ! 0.9760 3515:20 Intra 2.34, 3.26 A assign (resid 78 and name HB1) (resid 78 and name HA) 3.15 1.35 1.35 ! 0.9991 3516:20 Intra 2.26, 2.29 A assign (resid 59 and name HG*) (resid 78 and name HA) 2.65 0.85 0.85 ! 0.7686 3517:20 Ambig 2.65, 4.09 A or (resid 78 and name HG1) (resid 78 and name HA) ! 0.1481 3517:20 ----- 3.48, 3.97 A assign (resid 78 and name HB2) (resid 78 and name HA) 2.65 0.85 0.85 ! 0.0000 3518:20 Intra 2.71, 2.74 A assign (resid 59 and name HB1) (resid 78 and name HA) 3.15 1.35 1.35 ! 0.9911 3519:20 Long 2.33, 2.67 A assign (resid 16 and name HN) (resid 15 and name HA) 3.15 1.35 1.35 ! 0.0000 3520:20 Seq 2.10, 2.79 A assign (resid 82 and name HB) (resid 82 and name HA) 3.15 1.35 1.35 ! 0.9941 3521:20 Intra 2.45, 3.00 A assign (resid 64 and name HB) (resid 64 and name HA) 3.65 1.85 1.85 ! 0.0000 3522:20 Intra 3.01, 3.03 A assign (resid 64 and name HG12) (resid 64 and name HA) 3.15 1.35 1.35 ! 0.0000 3523:20 Intra 2.47, 2.77 A assign (resid 64 and name HG2*) (resid 64 and name HA) 2.65 0.85 0.85 ! 0.4911 3524:20 Ambig 2.45, 3.17 A or (resid 107 and name HG1*) (resid 64 and name HA) ! 0.3490 3524:20 ----- 2.59, 4.33 A or (resid 64 and name HD1*) (resid 64 and name HA) ! 0.1599 3524:20 ----- 2.95, 4.49 A assign (resid 108 and name HD*) (resid 64 and name HA) 3.65 1.85 1.85 ! 0.0000 3525:20 Long 3.51, 5.95 A assign (resid 38 and name HN) (resid 37 and name HA) 2.65 0.85 0.85 ! 0.0000 3526:20 Seq 2.07, 2.15 A assign (resid 47 and name HB2) (resid 37 and name HA) 3.65 1.85 1.85 ! 0.0000 3527:20 Long 3.30, 3.76 A assign (resid 47 and name HD1) (resid 37 and name HA) 4.15 2.35 2.35 ! 0.9060 3528:20 Long 3.61, 4.71 A assign (resid 39 and name HN) (resid 38 and name HA) 3.15 1.35 1.35 ! 0.9929 3529:20 Seq 2.19, 2.32 A assign (resid 38 and name HB1) (resid 38 and name HA) 3.15 1.35 1.35 ! 0.5049 3530:20 Ambig 2.41, 2.65 A or (resid 44 and name HG2*) (resid 91 and name HA) ! 0.3766 3530:20 ----- 2.53, 4.05 A or (resid 91 and name HG1) (resid 91 and name HA) ! 0.1089 3530:20 ----- 3.11, 3.27 A assign (resid 38 and name HG*) (resid 38 and name HA) 3.15 1.35 1.35 ! 0.9962 3531:20 Intra 2.48, 2.98 A assign (resid 91 and name HB2) (resid 91 and name HA) 3.65 1.85 1.85 ! 0.0000 3532:20 Intra 2.44, 2.48 A assign (resid 81 and name HN) (resid 80 and name HA*) 3.15 1.35 1.35 ! 0.0000 3533:20 Seq 3.07, 3.25 A assign (resid 112 and name HG2) (resid 112 and name HD1) 3.65 1.85 1.85 ! 0.0000 3534:20 Intra 2.34, 2.53 A assign (resid 71 and name HN) (resid 68 and name HB2) 3.15 1.35 1.35 ! 0.8527 3535:20 Ambig 2.43, 2.64 A or (resid 71 and name HN) (resid 63 and name HD1) ! 0.1473 3535:20 ----- 3.25, 4.81 A assign (resid 96 and name HZ3) (resid 63 and name HD2) 3.65 1.85 1.85 ! 0.7910 3536:20 Ambig 4.34, 4.71 A or (resid 96 and name HZ2) (resid 63 and name HD2) ! 0.2090 3536:20 ----- 5.41, 6.26 A assign (resid 71 and name HN) (resid 68 and name HB1) 3.65 1.85 1.85 ! 0.0000 3537:20 Mid 3.14, 3.41 A assign (resid 31 and name HB2) (resid 31 and name HD*) 3.15 1.35 1.35 ! 0.0000 3538:20 Intra 2.31, 3.28 A assign (resid 71 and name HB*) (resid 68 and name HB2) 3.15 1.35 1.35 ! 0.7320 3539:20 Ambig 1.87, 2.94 A or (resid 71 and name HB*) (resid 63 and name HD1) ! 0.2653 3539:20 ----- 2.21, 4.39 A assign (resid 63 and name HG1) (resid 63 and name HD1) 3.65 1.85 1.85 ! 0.9433 3540:20 Intra 2.54, 2.92 A assign (resid 106 and name HB2) (resid 106 and name HD2) 3.15 1.35 1.35 ! 0.0000 3541:20 Intra 3.03, 3.37 A assign (resid 47 and name HG2) (resid 47 and name HE*) 3.15 1.35 1.35 ! 0.0000 3542:20 Intra 2.51, 3.10 A assign (resid 58 and name HN) (resid 57 and name HB*) 3.15 1.35 1.35 ! 0.8395 3543:20 Ambig 2.27, 3.96 A or (resid 91 and name HE21) (resid 42 and name HB1) ! 0.1605 3543:20 ----- 3.00, 3.87 A assign (resid 100 and name HA) (resid 100 and name HB1) 3.15 1.35 1.35 ! 0.0000 3544:20 Intra 2.40, 2.65 A assign (resid 122 and name HG11) (resid 122 and name HB) 2.65 0.85 0.85 ! 0.0000 3545:20 Intra 2.45, 2.48 A assign (resid 88 and name HN) (resid 87 and name HB1) 3.65 1.85 1.85 ! 0.0000 3546:20 Seq 3.89, 4.13 A assign (resid 70 and name HD21) (resid 70 and name HB2) 3.15 1.35 1.35 ! 0.9737 3547:20 Intra 2.18, 2.92 A assign (resid 99 and name HD*) (resid 107 and name HB) 3.65 1.85 1.85 ! 0.9838 3548:20 Long 3.32, 4.28 A assign (resid 91 and name HB1) (resid 91 and name HG1) 3.15 1.35 1.35 ! 0.9963 3550:20 Intra 2.40, 2.44 A assign (resid 33 and name HG1*) (resid 33 and name HB) 2.30 0.50 0.50 ! 0.5015 3551:20 Ambig 2.35, 2.62 A or (resid 33 and name HG2*) (resid 33 and name HB) ! 0.4704 3551:20 ----- 2.38, 2.64 A assign (resid 129 and name HG2*) (resid 54 and name HB) 2.65 0.85 0.85 ! 0.5678 3552:20 Ambig 3.54, 4.44 A or (resid 129 and name HG1*) (resid 54 and name HB) ! 0.4322 3552:20 ----- 3.71, 4.63 A assign (resid 121 and name HN) (resid 121 and name HB1) 3.15 1.35 1.35 ! 0.9725 3553:20 Intra 3.01, 3.08 A assign (resid 114 and name HA) (resid 114 and name HB1) 3.15 1.35 1.35 ! 0.8567 3555:20 Ambig 2.50, 2.69 A or (resid 123 and name HA) (resid 114 and name HB1) ! 0.1344 3555:20 ----- 3.41, 4.23 A assign (resid 106 and name HA) (resid 106 and name HB2) 3.15 1.35 1.35 ! 0.0000 3556:20 Intra 2.40, 2.52 A assign (resid 119 and name HA) (resid 118 and name HB1) 3.15 1.35 1.35 ! 0.9096 3557:20 Seq 2.37, 2.73 A assign (resid 34 and name HA) (resid 118 and name HB2) 3.15 1.35 1.35 ! 0.5877 3558:20 Ambig 3.00, 4.53 A or (resid 119 and name HA) (resid 118 and name HB2) ! 0.4098 3558:20 ----- 3.19, 3.76 A assign (resid 32 and name HD2) (resid 31 and name HB2) 3.65 1.85 1.85 ! 0.9907 3559:20 Seq 2.54, 4.20 A assign (resid 97 and name HG12) (resid 109 and name HB2) 3.65 1.85 1.85 ! 0.8097 3562:20 Ambig 3.66, 3.74 A or (resid 60 and name HB) (resid 109 and name HB2) ! 0.1443 3562:20 ----- 4.88, 5.18 A assign (resid 97 and name HG12) (resid 109 and name HB1) 3.65 1.85 1.85 ! 0.9971 3563:20 Long 2.03, 2.08 A assign (resid 95 and name HG2*) (resid 114 and name HB1) 3.15 1.35 1.35 ! 0.9008 3564:20 Long 2.83, 4.72 A assign (resid 95 and name HG11) (resid 114 and name HB1) 4.15 2.35 2.35 ! 0.0000 3565:20 Long 4.66, 5.18 A assign (resid 52 and name HG2*) (resid 131 and name HD*) 3.65 1.85 1.85 ! 0.8766 3566:20 Ambig 3.08, 6.04 A or (resid 82 and name HG2*) (resid 131 and name HD*) ! 0.1234 3566:20 ----- 4.27, 7.08 A assign (resid 39 and name HB1) (resid 39 and name HD1) 3.15 1.35 1.35 ! 0.0000 3567:20 Intra 2.40, 2.82 A assign (resid 12 and name HA) (resid 12 and name HB*) 2.65 0.85 0.85 ! 0.0000 3568:20 Intra 2.34, 2.72 A assign (resid 64 and name HA) (resid 64 and name HG12) 3.15 1.35 1.35 ! 0.9981 3569:20 Intra 2.47, 2.77 A assign (resid 28 and name HD1) (resid 28 and name HG*) 2.30 0.50 0.50 ! 0.2629 3570:20 Ambig 2.26, 2.57 A or (resid 32 and name HD1) (resid 32 and name HG*) ! 0.2595 3570:20 ----- 2.26, 2.54 A or (resid 59 and name HD1) (resid 59 and name HG*) ! 0.2458 3570:20 ----- 2.28, 2.49 A or (resid 32 and name HD1) (resid 28 and name HG*) ! 0.2266 3570:20 ----- 2.31, 5.82 A assign (resid 123 and name HD1) (resid 123 and name HG*) 3.15 1.35 1.35 ! 0.0000 3571:20 Intra 2.25, 2.54 A assign (resid 67 and name HD2) (resid 67 and name HG2) 3.65 1.85 1.85 ! 0.9873 3574:20 Intra 2.24, 2.27 A assign (resid 71 and name HB*) (resid 66 and name HB2) 3.65 1.85 1.85 ! 0.9938 3575:20 Long 2.60, 4.00 A assign (resid 71 and name HB*) (resid 66 and name HB1) 3.65 1.85 1.85 ! 0.0000 3576:20 Long 3.79, 4.96 A assign (resid 77 and name HD1*) (resid 77 and name HG) 2.65 0.85 0.85 ! 0.9697 3579:20 Intra 2.40, 2.62 A assign (resid 95 and name HG11) (resid 90 and name HG12) 3.15 1.35 1.35 ! 0.9944 3580:20 Long 2.16, 2.36 A assign (resid 59 and name HA) (resid 78 and name HA) 3.15 1.35 1.35 ! 0.9951 3581:20 Long 2.55, 3.06 A assign (resid 110 and name HD2) (resid 110 and name HG1) 2.65 0.85 0.85 ! 0.0000 3582:20 Intra 2.66, 2.70 A assign (resid 106 and name HD2) (resid 106 and name HG2) 3.15 1.35 1.35 ! 0.9626 3584:20 Intra 2.40, 2.83 A assign (resid 106 and name HD2) (resid 106 and name HG1) 3.15 1.35 1.35 ! 0.0000 3585:20 Intra 2.30, 2.38 A assign (resid 96 and name HB1) (resid 67 and name HB*) 3.15 1.35 1.35 ! 0.5088 3586:20 Ambig 2.85, 3.75 A or (resid 67 and name HD2) (resid 67 and name HB*) ! 0.3010 3586:20 ----- 3.11, 3.74 A or (resid 108 and name HB2) (resid 67 and name HB*) ! 0.1902 3586:20 ----- 3.35, 4.55 A assign (resid 131 and name HD*) (resid 131 and name HG*) 2.65 0.85 0.85 ! 0.9520 3587:20 Intra 2.37, 2.70 A assign (resid 44 and name HG2*) (resid 44 and name HA) 2.65 0.85 0.85 ! 0.6826 3588:20 Ambig 2.35, 2.99 A or (resid 110 and name HB2) (resid 110 and name HA) ! 0.3059 3588:20 ----- 2.69, 2.71 A assign (resid 99 and name HD*) (resid 107 and name HG1*) 3.65 1.85 1.85 ! 0.0000 3590:20 Long 4.47, 6.03 A assign (resid 103 and name HD22) (resid 107 and name HG2*) 3.65 1.85 1.85 ! 0.6460 3591:20 Ambig 3.94, 7.16 A or (resid 99 and name HD*) (resid 107 and name HG2*) ! 0.3540 3591:20 ----- 4.35, 6.34 A assign (resid 112 and name HN) (resid 111 and name HG1*) 3.65 1.85 1.85 ! 0.5597 3592:20 Ambig 4.51, 4.94 A or (resid 85 and name HE*) (resid 111 and name HG1*) ! 0.4403 3592:20 ----- 4.69, 7.17 A assign (resid 110 and name HD1) (resid 62 and name HG2*) 3.15 1.35 1.35 ! 0.6560 3593:20 Ambig 2.87, 4.39 A or (resid 61 and name HA) (resid 62 and name HG2*) ! 0.3075 3593:20 ----- 3.25, 4.74 A assign (resid 62 and name HB) (resid 107 and name HG2*) 3.65 1.85 1.85 ! 0.3355 3594:20 Ambig 4.97, 5.68 A or (resid 75 and name HA2) (resid 107 and name HG2*) ! 0.3276 3594:20 ----- 4.99, 6.20 A or (resid 65 and name HA2) (resid 107 and name HG2*) ! 0.2602 3594:20 ----- 5.19, 6.86 A assign (resid 61 and name HB) (resid 60 and name HA) 3.65 1.85 1.85 ! 0.6644 3595:20 Ambig 4.45, 4.84 A or (resid 110 and name HG2) (resid 60 and name HA) ! 0.3356 3595:20 ----- 4.98, 5.33 A assign (resid 60 and name HG12) (resid 60 and name HA) 3.15 1.35 1.35 ! 0.9628 3596:20 Intra 2.55, 2.62 A assign (resid 67 and name HG2) (resid 67 and name HA) 3.65 1.85 1.85 ! 0.7468 3597:20 Ambig 3.96, 4.05 A or (resid 44 and name HG2*) (resid 67 and name HA) ! 0.1809 3597:20 ----- 5.02, 6.28 A assign (resid 102 and name HA) (resid 101 and name HB*) 3.65 1.85 1.85 ! 0.8766 3598:20 Ambig 4.61, 5.32 A or (resid 75 and name HA2) (resid 101 and name HB*) ! 0.1234 3598:20 ----- 6.39, 7.52 A assign (resid 107 and name HB) (resid 101 and name HB*) 3.15 1.35 1.35 ! 0.9225 3600:20 Long 2.17, 4.38 A assign (resid 68 and name HD*) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.9892 3605:20 Mid 2.12, 4.96 A assign (resid 112 and name HN) (resid 111 and name HG2*) 3.15 1.35 1.35 ! 0.9956 3606:20 Seq 1.92, 2.96 A assign (resid 99 and name HE*) (resid 83 and name HG2*) 3.65 1.85 1.85 ! 0.0000 3607:20 Long 3.40, 4.65 A assign (resid 69 and name HA) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.6761 3608:20 Ambig 4.37, 5.40 A or (resid 72 and name HA) (resid 71 and name HB*) ! 0.3239 3608:20 ----- 4.94, 5.57 A assign (resid 63 and name HD2) (resid 71 and name HB*) 3.15 1.35 1.35 ! 0.0000 3609:20 Long 2.14, 3.53 A assign (resid 123 and name HD2) (resid 122 and name HG2*) 3.65 1.85 1.85 ! 0.0000 3610:20 Seq 2.82, 3.88 A assign (resid 118 and name HD1) (resid 90 and name HG2*) 3.15 1.35 1.35 ! 0.9490 3611:20 Long 2.51, 4.08 A assign (resid 72 and name HG*) (resid 64 and name HG2*) 3.65 1.85 1.85 ! 0.9563 3612:20 Long 3.86, 6.21 A assign (resid 91 and name HG1) (resid 92 and name HB*) 3.15 1.35 1.35 ! 0.0000 3613:20 Seq 3.81, 5.00 A assign (resid 69 and name HD2*) (resid 71 and name HB*) 4.15 2.35 2.35 ! 0.0000 3614:20 Mid 6.04, 7.91 A assign (resid 95 and name HB) (resid 111 and name HG2*) 3.65 1.85 1.85 ! 0.6617 3616:20 Ambig 4.81, 5.46 A or (resid 60 and name HD1*) (resid 111 and name HG2*) ! 0.1697 3616:20 ----- 6.03, 7.22 A or (resid 60 and name HG2*) (resid 111 and name HG2*) ! 0.1686 3616:20 ----- 6.04, 7.97 A assign (resid 112 and name HG2) (resid 111 and name HG2*) 3.65 1.85 1.85 ! 0.9274 3617:20 Seq 2.08, 3.82 A assign (resid 30 and name HN) (resid 29 and name HA) 3.65 1.85 1.85 ! 0.9990 3618:20 Seq 2.09, 2.93 A assign (resid 99 and name HE*) (resid 97 and name HD1*) 3.15 1.35 1.35 ! 0.0000 3620:20 Mid 2.73, 5.61 A assign (resid 109 and name HB2) (resid 97 and name HD1*) 3.15 1.35 1.35 ! 0.6182 3621:20 Ambig 3.31, 4.47 A or (resid 99 and name HB1) (resid 97 and name HD1*) ! 0.3733 3621:20 ----- 3.60, 5.09 A assign (resid 109 and name HB2) (resid 97 and name HG2*) 3.65 1.85 1.85 ! 0.3720 3622:20 Ambig 6.13, 6.69 A or (resid 99 and name HB1) (resid 97 and name HG2*) ! 0.3610 3622:20 ----- 6.16, 6.84 A or (resid 98 and name HA1) (resid 97 and name HG2*) ! 0.2670 3622:20 ----- 6.48, 7.00 A assign (resid 97 and name HB) (resid 97 and name HD1*) 3.15 1.35 1.35 ! 0.0000 3623:20 Intra 2.56, 3.12 A assign (resid 122 and name HA) (resid 123 and name HD1) 2.65 0.85 0.85 ! 0.9861 3625:20 Seq 1.89, 2.06 A assign (resid 88 and name HB) (resid 95 and name HD1*) 4.15 2.35 2.35 ! 0.5965 3627:20 Ambig 4.40, 5.73 A or (resid 123 and name HB1) (resid 95 and name HD1*) ! 0.3028 3627:20 ----- 4.93, 6.64 A or (resid 111 and name HB) (resid 95 and name HD1*) ! 0.1007 3627:20 ----- 5.92, 7.41 A assign (resid 47 and name HB2) (resid 48 and name HD2) 2.65 0.85 0.85 ! 0.9922 3628:20 Seq 2.22, 2.71 A assign (resid 117 and name HB) (resid 118 and name HD1) 3.65 1.85 1.85 ! 0.9012 3629:20 Seq 3.55, 4.09 A assign (resid 54 and name HN) (resid 130 and name HA) 3.15 1.35 1.35 ! 0.0000 3630:20 Long 3.12, 3.43 A assign (resid 54 and name HG2*) (resid 53 and name HA) 3.15 1.35 1.35 ! 0.0000 3631:20 Seq 3.57, 4.67 A assign (resid 130 and name HN) (resid 129 and name HA) 2.65 0.85 0.85 ! 0.0000 3632:20 Seq 2.08, 2.18 A assign (resid 129 and name HB) (resid 129 and name HA) 3.15 1.35 1.35 ! 0.9719 3633:20 Intra 3.03, 3.04 A assign (resid 95 and name HG11) (resid 95 and name HA) 2.65 0.85 0.85 ! 0.9877 3634:20 Intra 2.45, 2.54 A assign (resid 18 and name HB*) (resid 18 and name HA) 2.65 0.85 0.85 ! 0.3520 3635:20 Ambig 2.34, 2.75 A or (resid 9 and name HB*) (resid 9 and name HA) ! 0.3465 3635:20 ----- 2.35, 2.70 A or (resid 69 and name HB1) (resid 69 and name HA) ! 0.2816 3635:20 ----- 2.43, 2.51 A assign (resid 96 and name HZ2) (resid 68 and name HA) 3.65 1.85 1.85 ! 0.9548 3636:20 Long 4.09, 4.50 A assign (resid 19 and name HB*) (resid 19 and name HA) 2.65 0.85 0.85 ! 0.5073 3637:20 Ambig 2.39, 2.75 A or (resid 8 and name HB*) (resid 8 and name HA) ! 0.4843 3637:20 ----- 2.41, 2.71 A assign (resid 130 and name HE*) (resid 126 and name HA) 3.65 1.85 1.85 ! 0.8728 3638:20 Ambig 3.54, 5.58 A or (resid 127 and name HD1) (resid 126 and name HA) ! 0.1272 3638:20 ----- 4.87, 5.52 A assign (resid 102 and name HD*) (resid 103 and name HA) 3.65 1.85 1.85 ! 0.0000 3639:20 Seq 3.17, 4.96 A assign (resid 105 and name HN) (resid 103 and name HA) 3.65 1.85 1.85 ! 0.0000 3640:20 Mid 4.23, 4.51 A assign (resid 104 and name HN) (resid 103 and name HA) 3.65 1.85 1.85 ! 0.0000 3641:20 Seq 3.10, 3.30 A assign (resid 92 and name HN) (resid 92 and name HA) 3.15 1.35 1.35 ! 0.0000 3642:20 Intra 2.73, 2.75 A assign (resid 9 and name HN) (resid 8 and name HA) 3.15 1.35 1.35 ! 0.3902 3643:20 Ambig 2.04, 2.35 A or (resid 20 and name HN) (resid 19 and name HA) ! 0.3526 3643:20 ----- 2.07, 2.78 A or (resid 19 and name HN) (resid 19 and name HA) ! 0.2502 3643:20 ----- 2.20, 2.82 A assign (resid 101 and name HN) (resid 106 and name HA) 3.15 1.35 1.35 ! 0.0000 3644:20 Long 3.45, 3.75 A assign (resid 122 and name HG11) (resid 122 and name HA) 3.65 1.85 1.85 ! 0.0000 3645:20 Intra 3.05, 3.33 A assign (resid 85 and name HN) (resid 52 and name HA) 3.15 1.35 1.35 ! 0.9962 3646:20 Long 2.87, 3.04 A assign (resid 52 and name HN) (resid 52 and name HA) 3.15 1.35 1.35 ! 0.9017 3647:20 Intra 2.91, 2.93 A assign (resid 51 and name HN) (resid 52 and name HA) 3.65 1.85 1.85 ! 0.5448 3648:20 Ambig 4.30, 4.49 A or (resid 53 and name HD*) (resid 82 and name HA) ! 0.4086 3648:20 ----- 4.52, 6.33 A assign (resid 84 and name HG2*) (resid 52 and name HA) 3.15 1.35 1.35 ! 0.9516 3649:20 Long 2.87, 4.18 A assign (resid 72 and name HG*) (resid 72 and name HA) 3.15 1.35 1.35 ! 0.9287 3650:20 Intra 2.77, 3.36 A assign (resid 72 and name HB2) (resid 72 and name HA) 3.15 1.35 1.35 ! 0.9951 3651:20 Intra 2.98, 2.99 A assign (resid 59 and name HB2) (resid 78 and name HA) 3.65 1.85 1.85 ! 0.0000 3652:20 Long 4.05, 4.39 A assign (resid 106 and name HG1) (resid 106 and name HD1) 3.15 1.35 1.35 ! 0.0000 3653:20 Intra 2.41, 2.83 A assign (resid 37 and name HE3) (resid 45 and name HB1) 2.65 0.85 0.85 ! 0.9534 3654:20 Long 2.23, 2.75 A assign (resid 115 and name HN) (resid 115 and name HB2) 3.15 1.35 1.35 ! 0.9719 3655:20 Intra 2.44, 2.79 A assign (resid 48 and name HD1) (resid 48 and name HB1) 3.15 1.35 1.35 ! 0.8558 3656:20 Ambig 3.00, 3.63 A or (resid 72 and name HD1) (resid 72 and name HB1) ! 0.1442 3656:20 ----- 4.04, 4.06 A assign (resid 116 and name HN) (resid 115 and name HB1) 3.65 1.85 1.85 ! 0.9969 3657:20 Seq 2.55, 3.22 A assign (resid 118 and name HG2) (resid 37 and name HB1) 3.65 1.85 1.85 ! 0.0000 3659:20 Long 2.80, 3.62 A assign (resid 94 and name HN) (resid 94 and name HE1) 4.15 2.35 2.35 ! 0.7567 0:60 Ambig 5.88, 6.06 A or (resid 69 and name HN) (resid 94 and name HE1) ! 0.2433 0:60 ----- 7.10, 7.81 A assign (resid 69 and name HG) (resid 94 and name HE1) 4.15 2.35 2.35 ! 0.9118 4:60 Long 4.32, 5.57 A assign (resid 69 and name HD1*) (resid 94 and name HE1) 3.65 1.85 1.85 ! 0.0000 5:60 Long 2.36, 4.88 A assign (resid 69 and name HD2*) (resid 94 and name HE1) 3.65 1.85 1.85 ! 0.0000 6:60 Long 2.48, 4.87 A assign (resid 94 and name HD2) (resid 94 and name HE1) 4.15 2.35 2.35 ! 0.0000 8:60 Intra 4.22, 4.23 A assign (resid 37 and name HE1) (resid 121 and name HE1) 4.15 2.35 2.35 ! 0.0000 9:60 Long 4.23, 5.30 A assign (resid 121 and name HN) (resid 121 and name HE1) 3.65 1.85 1.85 ! 0.0000 10:60 Intra 4.16, 4.41 A assign (resid 121 and name HD2) (resid 121 and name HE1) 4.15 2.35 2.35 ! 0.0000 11:60 Intra 4.23, 4.23 A assign (resid 119 and name HA) (resid 121 and name HE1) 4.15 2.35 2.35 ! 0.7328 13:60 Ambig 5.36, 6.03 A or (resid 121 and name HA) (resid 121 and name HE1) ! 0.2672 13:60 ----- 6.34, 6.43 A assign (resid 121 and name HB2) (resid 121 and name HE1) 3.65 1.85 1.85 ! 0.5863 15:60 Ambig 5.23, 5.30 A or (resid 119 and name HB1) (resid 121 and name HE1) ! 0.4137 15:60 ----- 5.54, 6.43 A assign (resid 121 and name HB1) (resid 121 and name HE1) 4.15 2.35 2.35 ! 0.6166 16:60 Ambig 4.74, 4.79 A or (resid 123 and name HG*) (resid 121 and name HE1) ! 0.3834 16:60 ----- 5.13, 7.15 A assign (resid 53 and name HN) (resid 85 and name HD*) 4.15 2.35 2.35 ! 0.9957 21:60 Long 2.84, 5.24 A assign (resid 85 and name HN) (resid 85 and name HD*) 3.15 1.35 1.35 ! 0.6817 22:60 Ambig 2.74, 3.51 A or (resid 86 and name HN) (resid 85 and name HD*) ! 0.2791 22:60 ----- 3.18, 4.77 A assign (resid 87 and name HN) (resid 85 and name HD*) 3.15 1.35 1.35 ! 0.9475 23:60 Mid 2.76, 4.82 A assign (resid 51 and name HN) (resid 85 and name HD*) 3.15 1.35 1.35 ! 0.8871 24:60 Ambig 3.33, 4.28 A or (resid 53 and name HD*) (resid 85 and name HD*) ! 0.1129 24:60 ----- 4.70, 6.89 A assign (resid 85 and name HE*) (resid 85 and name HD*) 3.15 1.35 1.35 ! 0.9752 25:60 Intra 2.44, 3.69 A assign (resid 50 and name HA) (resid 85 and name HD*) 3.15 1.35 1.35 ! 0.3490 26:60 Ambig 3.65, 5.23 A or (resid 86 and name HA) (resid 85 and name HD*) ! 0.3265 26:60 ----- 3.69, 5.56 A or (resid 85 and name HA) (resid 85 and name HD*) ! 0.1727 26:60 ----- 4.11, 4.24 A or (resid 97 and name HA) (resid 85 and name HD*) ! 0.1518 26:60 ----- 4.20, 5.20 A assign (resid 52 and name HA) (resid 85 and name HD*) 3.65 1.85 1.85 ! 0.7543 27:60 Ambig 3.35, 5.09 A or (resid 87 and name HA) (resid 85 and name HD*) ! 0.2457 27:60 ----- 4.04, 6.61 A assign (resid 84 and name HA) (resid 85 and name HD*) 4.15 2.35 2.35 ! 0.0000 28:60 Seq 3.41, 5.03 A assign (resid 85 and name HB2) (resid 85 and name HD*) 3.15 1.35 1.35 ! 0.9915 29:60 Intra 2.44, 3.05 A assign (resid 53 and name HB1) (resid 85 and name HD*) 4.15 2.35 2.35 ! 0.9820 30:60 Long 2.59, 4.99 A assign (resid 85 and name HB1) (resid 85 and name HD*) 3.65 1.85 1.85 ! 0.9921 31:60 Intra 2.37, 3.05 A assign (resid 97 and name HB) (resid 85 and name HD*) 3.65 1.85 1.85 ! 0.0000 33:60 Long 3.18, 3.60 A assign (resid 49 and name HB*) (resid 85 and name HD*) 3.65 1.85 1.85 ! 0.9439 34:60 Long 2.99, 6.85 A assign (resid 88 and name HG2*) (resid 85 and name HD*) 3.65 1.85 1.85 ! 0.9727 35:60 Mid 2.45, 5.02 A assign (resid 97 and name HD1*) (resid 85 and name HD*) 3.15 1.35 1.35 ! 0.8264 36:60 Ambig 2.28, 4.58 A or (resid 83 and name HG2*) (resid 85 and name HD*) ! 0.1706 36:60 ----- 2.96, 6.40 A assign (resid 97 and name HG2*) (resid 85 and name HD*) 3.65 1.85 1.85 ! 0.0000 37:60 Long 3.10, 4.50 A assign (resid 46 and name HN) (resid 46 and name HD*) 3.15 1.35 1.35 ! 0.0000 38:60 Intra 1.97, 3.64 A assign (resid 47 and name HN) (resid 46 and name HD*) 3.15 1.35 1.35 ! 0.9678 41:60 Seq 3.16, 4.55 A assign (resid 40 and name HN) (resid 46 and name HD*) 3.15 1.35 1.35 ! 0.0000 42:60 Long 2.60, 4.97 A assign (resid 39 and name HN) (resid 46 and name HD*) 3.65 1.85 1.85 ! 0.5652 45:60 Ambig 4.79, 6.65 A or (resid 45 and name HN) (resid 46 and name HD*) ! 0.4348 45:60 ----- 5.00, 6.79 A assign (resid 40 and name HD21) (resid 46 and name HD*) 3.65 1.85 1.85 ! 0.9662 46:60 Long 2.80, 4.98 A assign (resid 46 and name HE*) (resid 46 and name HD*) 2.65 0.85 0.85 ! 0.0000 48:60 Intra 2.44, 3.68 A assign (resid 46 and name HA) (resid 46 and name HD*) 3.15 1.35 1.35 ! 0.8132 49:60 Ambig 3.95, 4.22 A or (resid 89 and name HA) (resid 46 and name HD*) ! 0.1868 49:60 ----- 5.05, 5.49 A assign (resid 45 and name HA) (resid 46 and name HD*) 3.15 1.35 1.35 ! 0.9891 50:60 Seq 3.04, 5.07 A assign (resid 40 and name HA) (resid 46 and name HD*) 3.65 1.85 1.85 ! 0.0000 53:60 Long 3.43, 5.75 A assign (resid 44 and name HB) (resid 46 and name HD*) 3.65 1.85 1.85 ! 0.0000 55:60 Mid 3.72, 5.86 A assign (resid 48 and name HD1) (resid 46 and name HD*) 3.65 1.85 1.85 ! 0.0000 57:60 Mid 2.78, 5.51 A assign (resid 40 and name HB2) (resid 46 and name HD*) 3.65 1.85 1.85 ! 0.9893 58:60 Long 2.01, 4.32 A assign (resid 46 and name HB2) (resid 46 and name HD*) 2.65 0.85 0.85 ! 0.0000 59:60 Intra 2.28, 3.03 A assign (resid 46 and name HB1) (resid 46 and name HD*) 2.65 0.85 0.85 ! 0.6228 62:60 Ambig 2.44, 3.07 A or (resid 40 and name HB1) (resid 46 and name HD*) ! 0.3604 62:60 ----- 2.67, 4.99 A assign (resid 87 and name HG2) (resid 46 and name HD*) 3.65 1.85 1.85 ! 0.0000 63:60 Long 3.30, 5.18 A assign (resid 38 and name HB2) (resid 46 and name HD*) 3.65 1.85 1.85 ! 0.6123 66:60 Ambig 3.78, 4.92 A or (resid 38 and name HD*) (resid 46 and name HD*) ! 0.3877 66:60 ----- 4.08, 6.58 A assign (resid 44 and name HG2*) (resid 46 and name HD*) 3.65 1.85 1.85 ! 0.0000 68:60 Mid 4.06, 6.61 A assign (resid 109 and name HN) (resid 99 and name HD*) 4.15 2.35 2.35 ! 0.9895 71:60 Long 3.36, 5.57 A assign (resid 100 and name HN) (resid 99 and name HD*) 3.15 1.35 1.35 ! 0.0000 72:60 Seq 2.96, 4.61 A assign (resid 99 and name HN) (resid 99 and name HD*) 3.15 1.35 1.35 ! 0.0000 73:60 Intra 2.47, 3.69 A assign (resid 85 and name HD*) (resid 99 and name HD*) 4.15 2.35 2.35 ! 0.0000 75:60 Long 4.50, 7.14 A assign (resid 85 and name HA) (resid 99 and name HD*) 3.65 1.85 1.85 ! 0.7324 79:60 Ambig 3.78, 4.94 A or (resid 97 and name HA) (resid 99 and name HD*) ! 0.1906 79:60 ----- 4.73, 7.03 A assign (resid 99 and name HA) (resid 99 and name HD*) 3.15 1.35 1.35 ! 0.0000 80:60 Intra 4.07, 4.24 A assign (resid 101 and name HA) (resid 99 and name HD*) 3.15 1.35 1.35 ! 0.9968 81:60 Mid 2.54, 5.17 A assign (resid 85 and name HB2) (resid 99 and name HD*) 3.65 1.85 1.85 ! 0.0000 82:60 Long 3.31, 5.47 A assign (resid 99 and name HB2) (resid 99 and name HD*) 3.15 1.35 1.35 ! 0.0000 83:60 Intra 2.33, 3.05 A assign (resid 99 and name HB1) (resid 99 and name HD*) 2.65 0.85 0.85 ! 0.9194 84:60 Intra 2.41, 3.06 A assign (resid 85 and name HB1) (resid 99 and name HD*) 3.15 1.35 1.35 ! 0.8647 85:60 Ambig 2.64, 4.69 A or (resid 109 and name HB1) (resid 99 and name HD*) ! 0.1130 85:60 ----- 3.71, 5.89 A assign (resid 101 and name HB*) (resid 99 and name HD*) 3.15 1.35 1.35 ! 0.5734 86:60 Ambig 3.09, 6.29 A or (resid 97 and name HB) (resid 99 and name HD*) ! 0.4266 86:60 ----- 3.25, 5.54 A assign (resid 97 and name HG11) (resid 99 and name HD*) 3.15 1.35 1.35 ! 0.9946 87:60 Mid 2.12, 4.41 A assign (resid 107 and name HB) (resid 99 and name HD*) 3.15 1.35 1.35 ! 0.7680 88:60 Ambig 3.32, 4.28 A or (resid 107 and name HG1*) (resid 99 and name HD*) ! 0.1285 88:60 ----- 4.47, 6.03 A or (resid 83 and name HG11) (resid 99 and name HD*) ! 0.1036 88:60 ----- 4.64, 5.42 A assign (resid 97 and name HD1*) (resid 99 and name HD*) 3.15 1.35 1.35 ! 0.6371 89:60 Ambig 2.78, 5.45 A or (resid 83 and name HG2*) (resid 99 and name HD*) ! 0.3629 89:60 ----- 3.05, 4.07 A assign (resid 97 and name HG2*) (resid 99 and name HD*) 4.15 2.35 2.35 ! 0.0000 90:60 Mid 5.21, 7.73 A assign (resid 131 and name HN) (resid 130 and name HD*) 3.65 1.85 1.85 ! 0.0000 91:60 Seq 3.84, 5.02 A assign (resid 130 and name HN) (resid 130 and name HD*) 3.15 1.35 1.35 ! 0.0000 94:60 Intra 2.24, 3.68 A assign (resid 130 and name HE*) (resid 130 and name HD*) 2.30 0.50 0.50 ! 0.7535 98:60 Ambig 2.44, 3.68 A or (resid 53 and name HD*) (resid 130 and name HD*) ! 0.2465 98:60 ----- 2.94, 5.65 A assign (resid 85 and name HE*) (resid 130 and name HD*) 3.15 1.35 1.35 ! 0.0000 99:60 Long 2.08, 5.92 A assign (resid 130 and name HZ) (resid 130 and name HD*) 3.15 1.35 1.35 ! 0.0000 100:60 Intra 4.23, 4.25 A assign (resid 130 and name HA) (resid 130 and name HD*) 3.15 1.35 1.35 ! 0.0000 104:60 Intra 2.98, 3.55 A assign (resid 53 and name HA) (resid 130 and name HD*) 3.65 1.85 1.85 ! 0.0000 105:60 Long 3.77, 5.04 A assign (resid 129 and name HA) (resid 130 and name HD*) 3.65 1.85 1.85 ! 0.9917 106:60 Seq 3.14, 4.94 A assign (resid 130 and name HB2) (resid 130 and name HD*) 2.65 0.85 0.85 ! 0.0000 107:60 Intra 2.40, 3.04 A assign (resid 130 and name HB1) (resid 130 and name HD*) 2.65 0.85 0.85 ! 0.9901 108:60 Intra 2.31, 3.02 A assign (resid 126 and name HB*) (resid 130 and name HD*) 4.15 2.35 2.35 ! 0.9798 109:60 Mid 3.40, 6.07 A assign (resid 51 and name HB*) (resid 130 and name HD*) 3.65 1.85 1.85 ! 0.5653 110:60 Ambig 4.43, 7.16 A or (resid 112 and name HB1) (resid 130 and name HD*) ! 0.2605 110:60 ----- 5.04, 6.26 A or (resid 112 and name HG1) (resid 130 and name HD*) ! 0.1130 110:60 ----- 5.79, 7.37 A assign (resid 95 and name HD1*) (resid 130 and name HD*) 4.15 2.35 2.35 ! 0.4260 111:60 Ambig 5.41, 7.61 A or (resid 129 and name HG2*) (resid 130 and name HD*) ! 0.3470 111:60 ----- 5.60, 7.91 A or (resid 95 and name HG2*) (resid 130 and name HD*) ! 0.2271 111:60 ----- 6.01, 7.28 A assign (resid 97 and name HD1*) (resid 130 and name HD*) 3.65 1.85 1.85 ! 0.5101 112:60 Ambig 4.40, 7.54 A or (resid 111 and name HG2*) (resid 130 and name HD*) ! 0.4899 112:60 ----- 4.43, 6.36 A assign (resid 97 and name HG2*) (resid 130 and name HD*) 3.65 1.85 1.85 ! 0.0000 113:60 Long 3.59, 6.47 A assign (resid 102 and name HN) (resid 102 and name HD*) 3.65 1.85 1.85 ! 0.0000 114:60 Intra 1.88, 3.38 A assign (resid 104 and name HN) (resid 102 and name HD*) 4.15 2.35 2.35 ! 0.0000 120:60 Mid 5.14, 5.78 A assign (resid 103 and name HN) (resid 102 and name HD*) 3.15 1.35 1.35 ! 0.9235 122:60 Seq 3.18, 3.90 A assign (resid 6 and name HN) (resid 6 and name HD*) 4.15 2.35 2.35 ! 0.0000 123:60 Intra 2.06, 4.11 A assign (resid 40 and name HD21) (resid 42 and name HD*) 3.65 1.85 1.85 ! 0.0000 124:60 Mid 2.21, 5.40 A assign (resid 40 and name HD22) (resid 42 and name HD*) 3.15 1.35 1.35 ! 0.9016 125:60 Mid 1.82, 4.73 A assign (resid 66 and name HN) (resid 68 and name HD*) 4.15 2.35 2.35 ! 0.0000 128:60 Mid 4.89, 7.15 A assign (resid 102 and name HE*) (resid 102 and name HD*) 2.30 0.50 0.50 ! 0.0000 129:60 Intra 2.44, 3.68 A assign (resid 6 and name HE*) (resid 6 and name HD*) 2.30 0.50 0.50 ! 0.0000 130:60 Intra 2.44, 3.68 A assign (resid 42 and name HE*) (resid 42 and name HD*) 2.30 0.50 0.50 ! 0.0000 131:60 Intra 2.44, 3.68 A assign (resid 103 and name HA) (resid 102 and name HD*) 3.15 1.35 1.35 ! 0.8035 133:60 Ambig 3.17, 4.96 A or (resid 102 and name HA) (resid 102 and name HD*) ! 0.1965 133:60 ----- 4.01, 4.23 A assign (resid 6 and name HA) (resid 6 and name HD*) 4.15 2.35 2.35 ! 0.0000 134:60 Intra 2.57, 3.53 A assign (resid 42 and name HA) (resid 42 and name HD*) 3.15 1.35 1.35 ! 0.0000 135:60 Intra 2.08, 3.45 A assign (resid 44 and name HB) (resid 42 and name HD*) 3.65 1.85 1.85 ! 0.9597 136:60 Mid 3.30, 5.62 A assign (resid 102 and name HB2) (resid 102 and name HD*) 2.65 0.85 0.85 ! 0.5190 137:60 Ambig 2.32, 3.05 A or (resid 102 and name HB1) (resid 102 and name HD*) ! 0.4810 137:60 ----- 2.35, 3.06 A assign (resid 42 and name HB2) (resid 42 and name HD*) 3.15 1.35 1.35 ! 0.0000 138:60 Intra 2.28, 3.03 A assign (resid 103 and name HB1) (resid 102 and name HD*) 4.15 2.35 2.35 ! 0.0000 139:60 Seq 2.57, 5.26 A assign (resid 6 and name HB1) (resid 6 and name HD*) 3.65 1.85 1.85 ! 0.5128 140:60 Ambig 2.32, 3.05 A or (resid 6 and name HB2) (resid 6 and name HD*) ! 0.4872 140:60 ----- 2.34, 3.04 A assign (resid 42 and name HB1) (resid 42 and name HD*) 2.65 0.85 0.85 ! 0.0000 141:60 Intra 2.50, 3.09 A assign (resid 101 and name HB*) (resid 102 and name HD*) 3.65 1.85 1.85 ! 0.0000 142:60 Seq 2.46, 5.39 A assign (resid 41 and name HB2) (resid 42 and name HD*) 4.15 2.35 2.35 ! 0.0000 143:60 Seq 3.79, 5.55 A assign (resid 67 and name HD1) (resid 42 and name HD*) 3.65 1.85 1.85 ! 0.8108 144:60 Ambig 2.76, 5.11 A or (resid 41 and name HG*) (resid 42 and name HD*) ! 0.1892 144:60 ----- 3.52, 6.71 A assign (resid 65 and name HN) (resid 108 and name HD*) 4.15 2.35 2.35 ! 0.9720 151:60 Long 2.64, 5.14 A assign (resid 108 and name HN) (resid 108 and name HD*) 3.65 1.85 1.85 ! 0.8784 152:60 Ambig 2.79, 4.05 A or (resid 97 and name HN) (resid 108 and name HD*) ! 0.1216 152:60 ----- 3.88, 5.81 A assign (resid 66 and name HN) (resid 108 and name HD*) 3.65 1.85 1.85 ! 0.0000 153:60 Long 2.94, 5.12 A assign (resid 98 and name HA2) (resid 108 and name HD*) 4.15 2.35 2.35 ! 0.9976 155:60 Long 2.63, 4.04 A assign (resid 108 and name HA) (resid 108 and name HD*) 3.65 1.85 1.85 ! 0.8585 156:60 Ambig 2.75, 3.51 A or (resid 97 and name HA) (resid 108 and name HD*) ! 0.0839 156:60 ----- 4.05, 6.20 A assign (resid 66 and name HA) (resid 108 and name HD*) 3.65 1.85 1.85 ! 0.9396 157:60 Long 3.70, 5.23 A assign (resid 107 and name HA) (resid 108 and name HD*) 4.15 2.35 2.35 ! 0.9631 158:60 Seq 3.25, 5.03 A assign (resid 96 and name HB2) (resid 108 and name HD*) 3.65 1.85 1.85 ! 0.9417 159:60 Long 2.72, 4.83 A assign (resid 108 and name HB2) (resid 108 and name HD*) 3.15 1.35 1.35 ! 0.9901 160:60 Intra 2.37, 3.04 A assign (resid 106 and name HG2) (resid 108 and name HD*) 4.15 2.35 2.35 ! 0.8219 161:60 Ambig 4.48, 5.86 A or (resid 63 and name HG1) (resid 108 and name HD*) ! 0.1781 161:60 ----- 5.79, 7.16 A assign (resid 67 and name HD1) (resid 108 and name HD*) 4.15 2.35 2.35 ! 0.9359 162:60 Long 3.67, 4.68 A assign (resid 108 and name HB1) (resid 108 and name HD*) 3.65 1.85 1.85 ! 0.9315 163:60 Intra 2.35, 3.04 A assign (resid 87 and name HB1) (resid 108 and name HD*) 4.15 2.35 2.35 ! 0.5027 164:60 Ambig 5.16, 6.79 A or (resid 63 and name HG1) (resid 108 and name HD*) ! 0.2533 164:60 ----- 5.79, 7.16 A or (resid 106 and name HB2) (resid 108 and name HD*) ! 0.2440 164:60 ----- 5.82, 7.38 A assign (resid 67 and name HB*) (resid 108 and name HD*) 3.65 1.85 1.85 ! 0.0000 165:60 Long 2.94, 4.83 A assign (resid 69 and name HN) (resid 68 and name HD*) 3.65 1.85 1.85 ! 0.0000 168:60 Seq 3.52, 4.64 A assign (resid 126 and name HN) (resid 130 and name HE*) 4.15 2.35 2.35 ! 0.4637 169:60 Ambig 5.06, 7.51 A or (resid 97 and name HN) (resid 130 and name HE*) ! 0.2782 169:60 ----- 5.50, 7.57 A or (resid 113 and name HN) (resid 130 and name HE*) ! 0.1309 169:60 ----- 6.24, 7.81 A or (resid 85 and name HN) (resid 53 and name HD*) ! 0.0733 169:60 ----- 6.88, 7.53 A assign (resid 127 and name HN) (resid 130 and name HE*) 3.65 1.85 1.85 ! 0.4144 170:60 Ambig 3.96, 5.89 A or (resid 130 and name HN) (resid 53 and name HD*) ! 0.3464 170:60 ----- 4.08, 6.38 A or (resid 130 and name HN) (resid 130 and name HE*) ! 0.2118 170:60 ----- 4.43, 5.49 A assign (resid 130 and name HD*) (resid 130 and name HE*) 2.65 0.85 0.85 ! 0.7535 171:60 Ambig 2.44, 3.68 A or (resid 130 and name HD*) (resid 53 and name HD*) ! 0.2465 171:60 ----- 2.94, 5.65 A assign (resid 53 and name HA) (resid 53 and name HD*) 4.15 2.35 2.35 ! 0.9824 172:60 Intra 2.61, 3.54 A assign (resid 130 and name HA) (resid 53 and name HD*) 3.65 1.85 1.85 ! 0.9759 173:60 Long 2.55, 4.68 A assign (resid 68 and name HA) (resid 68 and name HD*) 3.65 1.85 1.85 ! 0.0000 174:60 Intra 2.63, 3.59 A assign (resid 66 and name HA) (resid 68 and name HD*) 4.15 2.35 2.35 ! 0.0000 175:60 Mid 4.50, 6.39 A assign (resid 126 and name HA) (resid 130 and name HE*) 3.65 1.85 1.85 ! 0.7588 176:60 Ambig 3.54, 5.58 A or (resid 111 and name HA) (resid 130 and name HE*) ! 0.1117 176:60 ----- 4.87, 5.66 A or (resid 111 and name HA) (resid 53 and name HD*) ! 0.0719 176:60 ----- 5.24, 5.68 A assign (resid 66 and name HB1) (resid 68 and name HD*) 3.15 1.35 1.35 ! 0.0000 179:60 Mid 2.40, 4.46 A assign (resid 68 and name HB2) (resid 68 and name HD*) 3.15 1.35 1.35 ! 0.9884 180:60 Intra 2.27, 3.00 A assign (resid 130 and name HB2) (resid 53 and name HD*) 3.15 1.35 1.35 ! 0.5236 181:60 Ambig 4.56, 6.89 A or (resid 130 and name HB2) (resid 130 and name HE*) ! 0.4764 181:60 ----- 4.63, 5.02 A assign (resid 67 and name HD2) (resid 68 and name HD*) 4.15 2.35 2.35 ! 0.6275 183:60 Ambig 4.15, 5.33 A or (resid 70 and name HB1) (resid 68 and name HD*) ! 0.3725 183:60 ----- 4.53, 6.31 A assign (resid 53 and name HB1) (resid 53 and name HD*) 3.15 1.35 1.35 ! 0.9456 184:60 Intra 2.31, 3.02 A assign (resid 112 and name HD1) (resid 130 and name HE*) 3.65 1.85 1.85 ! 0.7437 185:60 Ambig 2.06, 3.94 A or (resid 53 and name HB2) (resid 53 and name HD*) ! 0.2339 185:60 ----- 2.50, 3.06 A assign (resid 69 and name HG) (resid 68 and name HD*) 4.15 2.35 2.35 ! 0.6397 186:60 Ambig 5.04, 7.48 A or (resid 69 and name HB2) (resid 68 and name HD*) ! 0.3603 186:60 ----- 5.54, 6.76 A assign (resid 71 and name HB*) (resid 68 and name HD*) 3.65 1.85 1.85 ! 0.9680 187:60 Mid 2.12, 4.96 A assign (resid 126 and name HB*) (resid 130 and name HE*) 3.15 1.35 1.35 ! 0.9992 188:60 Mid 1.98, 5.06 A assign (resid 112 and name HB1) (resid 130 and name HE*) 3.65 1.85 1.85 ! 0.9194 189:60 Long 2.68, 4.28 A assign (resid 91 and name HG1) (resid 68 and name HD*) 4.15 2.35 2.35 ! 0.0000 190:60 Long 4.27, 5.91 A assign (resid 77 and name HD2*) (resid 53 and name HD*) 3.65 1.85 1.85 ! 0.9932 191:60 Long 2.37, 5.42 A assign (resid 95 and name HG2*) (resid 130 and name HE*) 3.15 1.35 1.35 ! 0.5452 192:60 Ambig 3.98, 5.38 A or (resid 77 and name HD1*) (resid 53 and name HD*) ! 0.4548 192:60 ----- 4.10, 7.48 A assign (resid 111 and name HG2*) (resid 130 and name HE*) 3.15 1.35 1.35 ! 0.8611 193:60 Ambig 2.08, 4.29 A or (resid 97 and name HD1*) (resid 53 and name HD*) ! 0.0951 193:60 ----- 3.00, 4.47 A assign (resid 97 and name HG2*) (resid 130 and name HE*) 3.15 1.35 1.35 ! 0.9343 194:60 Long 2.58, 5.43 A assign (resid 96 and name HE3) (resid 108 and name HD*) 3.65 1.85 1.85 ! 0.0000 195:60 Long 3.94, 4.89 A assign (resid 66 and name HA) (resid 68 and name HE2) 4.15 2.35 2.35 ! 0.8924 198:60 Ambig 4.42, 6.32 A or (resid 66 and name HA) (resid 68 and name HE1) ! 0.1076 198:60 ----- 6.28, 7.95 A or (resid 44 and name HA) (resid 68 and name HE1) ! 0.0000 198:60 ----- 0.00, 0.00 A or (resid 44 and name HA) (resid 68 and name HE2) ! 0.0000 198:60 ----- 0.00, 0.00 A assign (resid 130 and name HD*) (resid 130 and name HZ) 3.65 1.85 1.85 ! 0.0000 203:60 Intra 4.23, 4.25 A assign (resid 130 and name HE*) (resid 130 and name HZ) 2.65 0.85 0.85 ! 0.9051 204:60 Intra 2.44, 2.46 A assign (resid 111 and name HA) (resid 130 and name HZ) 4.15 2.35 2.35 ! 0.9320 205:60 Long 4.02, 4.40 A assign (resid 112 and name HD2) (resid 130 and name HZ) 4.15 2.35 2.35 ! 0.0000 206:60 Long 2.64, 4.36 A assign (resid 112 and name HD1) (resid 130 and name HZ) 4.15 2.35 2.35 ! 0.0000 207:60 Long 2.66, 3.37 A assign (resid 111 and name HB) (resid 130 and name HZ) 3.15 1.35 1.35 ! 0.9988 208:60 Long 1.94, 2.20 A assign (resid 95 and name HG2*) (resid 130 and name HZ) 3.65 1.85 1.85 ! 0.9859 210:60 Long 2.84, 4.15 A assign (resid 112 and name HB1) (resid 130 and name HZ) 4.15 2.35 2.35 ! 0.9133 211:60 Long 2.47, 3.11 A assign (resid 111 and name HG2*) (resid 130 and name HZ) 3.15 1.35 1.35 ! 0.9944 212:60 Long 2.08, 2.95 A assign (resid 111 and name HG1*) (resid 130 and name HZ) 3.65 1.85 1.85 ! 0.0000 213:60 Long 3.55, 4.42 A assign (resid 97 and name HG2*) (resid 130 and name HZ) 3.65 1.85 1.85 ! 0.0000 214:60 Long 3.97, 5.29 A assign (resid 37 and name HE1) (resid 37 and name HD1) 2.65 0.85 0.85 ! 0.5031 215:60 Ambig 2.55, 2.58 A or (resid 45 and name HE1) (resid 45 and name HD1) ! 0.4969 215:60 ----- 2.56, 2.57 A assign (resid 37 and name HN) (resid 37 and name HD1) 3.15 1.35 1.35 ! 0.5817 216:60 Ambig 2.21, 2.60 A or (resid 34 and name HN) (resid 37 and name HD1) ! 0.4183 216:60 ----- 2.33, 6.41 A assign (resid 45 and name HN) (resid 45 and name HD1) 3.15 1.35 1.35 ! 0.9965 217:60 Intra 2.53, 2.69 A assign (resid 118 and name HA) (resid 37 and name HD1) 3.65 1.85 1.85 ! 0.5880 220:60 Ambig 3.64, 4.53 A or (resid 37 and name HA) (resid 37 and name HD1) ! 0.4120 220:60 ----- 3.86, 4.16 A assign (resid 44 and name HA) (resid 45 and name HD1) 3.65 1.85 1.85 ! 0.8533 222:60 Ambig 3.47, 3.73 A or (resid 117 and name HA) (resid 45 and name HD1) ! 0.1467 222:60 ----- 4.65, 5.21 A assign (resid 35 and name HA*) (resid 37 and name HD1) 4.15 2.35 2.35 ! 0.0000 223:60 Mid 2.10, 5.48 A assign (resid 37 and name HB2) (resid 37 and name HD1) 3.65 1.85 1.85 ! 0.9416 224:60 Intra 2.59, 2.69 A assign (resid 37 and name HB1) (resid 37 and name HD1) 3.15 1.35 1.35 ! 0.4632 225:60 Ambig 3.75, 3.83 A or (resid 45 and name HB1) (resid 45 and name HD1) ! 0.4217 225:60 ----- 3.81, 3.85 A or (resid 45 and name HB1) (resid 37 and name HD1) ! 0.0734 225:60 ----- 5.10, 5.71 A assign (resid 45 and name HB2) (resid 45 and name HD1) 3.15 1.35 1.35 ! 0.9955 226:60 Intra 2.66, 2.73 A assign (resid 119 and name HB1) (resid 37 and name HD1) 4.15 2.35 2.35 ! 0.0000 227:60 Long 2.15, 2.97 A assign (resid 118 and name HD1) (resid 45 and name HD1) 3.65 1.85 1.85 ! 0.0000 228:60 Long 3.61, 4.08 A assign (resid 118 and name HB1) (resid 37 and name HD1) 3.65 1.85 1.85 ! 0.0000 229:60 Long 2.52, 3.20 A assign (resid 118 and name HG2) (resid 45 and name HD1) 4.15 2.35 2.35 ! 0.9396 230:60 Long 2.44, 3.70 A assign (resid 90 and name HG2*) (resid 45 and name HD1) 3.15 1.35 1.35 ! 0.6445 232:60 Ambig 3.47, 5.17 A or (resid 117 and name HG1*) (resid 45 and name HD1) ! 0.1664 232:60 ----- 4.35, 6.59 A or (resid 39 and name HB2) (resid 45 and name HD1) ! 0.1570 232:60 ----- 4.39, 5.26 A assign (resid 118 and name HB2) (resid 37 and name HD1) 3.65 1.85 1.85 ! 0.0000 233:60 Long 2.94, 4.17 A assign (resid 47 and name HD1) (resid 37 and name HD1) 4.15 2.35 2.35 ! 0.7618 234:60 Ambig 3.88, 4.70 A or (resid 118 and name HG2) (resid 37 and name HD1) ! 0.2382 234:60 ----- 4.71, 5.48 A assign (resid 118 and name HG1) (resid 45 and name HD1) 3.65 1.85 1.85 ! 0.6443 235:60 Ambig 3.45, 4.54 A or (resid 118 and name HG1) (resid 37 and name HD1) ! 0.1600 235:60 ----- 4.35, 5.23 A or (resid 90 and name HD1*) (resid 37 and name HD1) ! 0.0982 235:60 ----- 4.72, 6.82 A assign (resid 118 and name HG1) (resid 45 and name HD1) 3.65 1.85 1.85 ! 0.6443 236:60 Ambig 3.45, 4.54 A or (resid 118 and name HG1) (resid 37 and name HD1) ! 0.1600 236:60 ----- 4.35, 5.23 A or (resid 90 and name HD1*) (resid 37 and name HD1) ! 0.0982 236:60 ----- 4.72, 6.82 A assign (resid 96 and name HE1) (resid 96 and name HD1) 3.15 1.35 1.35 ! 0.0000 237:60 Intra 2.55, 2.56 A assign (resid 96 and name HN) (resid 96 and name HD1) 3.15 1.35 1.35 ! 0.9937 238:60 Intra 2.47, 2.69 A assign (resid 89 and name HN) (resid 96 and name HD1) 4.15 2.35 2.35 ! 0.0000 239:60 Long 5.04, 5.30 A assign (resid 94 and name HN) (resid 96 and name HD1) 3.65 1.85 1.85 ! 0.9812 240:60 Mid 3.94, 4.34 A assign (resid 91 and name HN) (resid 96 and name HD1) 3.15 1.35 1.35 ! 0.9990 241:60 Long 1.84, 2.15 A assign (resid 96 and name HZ2) (resid 96 and name HD1) 4.15 2.35 2.35 ! 0.8404 243:60 Ambig 5.01, 5.02 A or (resid 96 and name HZ3) (resid 96 and name HD1) ! 0.1596 243:60 ----- 6.61, 6.62 A assign (resid 96 and name HA) (resid 96 and name HD1) 3.65 1.85 1.85 ! 0.9494 244:60 Intra 3.87, 4.03 A assign (resid 90 and name HA) (resid 96 and name HD1) 3.15 1.35 1.35 ! 0.7039 245:60 Ambig 2.49, 3.11 A or (resid 95 and name HA) (resid 96 and name HD1) ! 0.2961 245:60 ----- 2.88, 3.08 A assign (resid 96 and name HB2) (resid 96 and name HD1) 3.65 1.85 1.85 ! 0.0000 246:60 Intra 2.66, 2.73 A assign (resid 96 and name HB1) (resid 96 and name HD1) 3.15 1.35 1.35 ! 0.9644 247:60 Intra 3.81, 3.85 A assign (resid 94 and name HB2) (resid 96 and name HD1) 3.65 1.85 1.85 ! 0.8469 248:60 Ambig 3.26, 3.98 A or (resid 89 and name HB1) (resid 96 and name HD1) ! 0.1531 248:60 ----- 4.34, 4.88 A assign (resid 91 and name HB1) (resid 96 and name HD1) 3.65 1.85 1.85 ! 0.9992 249:60 Long 2.15, 2.46 A assign (resid 90 and name HG11) (resid 96 and name HD1) 3.65 1.85 1.85 ! 0.3430 250:60 Ambig 5.38, 5.97 A or (resid 69 and name HD2*) (resid 96 and name HD1) ! 0.2682 250:60 ----- 5.61, 7.13 A or (resid 95 and name HG2*) (resid 96 and name HD1) ! 0.2283 250:60 ----- 5.76, 6.53 A or (resid 88 and name HG1*) (resid 96 and name HD1) ! 0.0918 250:60 ----- 6.71, 7.60 A assign (resid 90 and name HG12) (resid 96 and name HD1) 3.65 1.85 1.85 ! 0.4872 251:60 Ambig 4.70, 5.38 A or (resid 95 and name HG12) (resid 96 and name HD1) ! 0.2978 251:60 ----- 5.11, 5.47 A or (resid 90 and name HB) (resid 96 and name HD1) ! 0.2150 251:60 ----- 5.39, 5.92 A assign (resid 67 and name HB*) (resid 96 and name HD1) 3.65 1.85 1.85 ! 0.0000 252:60 Long 3.17, 3.97 A assign (resid 95 and name HN) (resid 94 and name HD2) 3.65 1.85 1.85 ! 0.0000 254:60 Seq 3.62, 3.98 A assign (resid 127 and name HZ2) (resid 94 and name HD2) 3.65 1.85 1.85 ! 0.0000 255:60 Long 4.16, 4.98 A assign (resid 127 and name HH2) (resid 94 and name HD2) 3.15 1.35 1.35 ! 0.0000 256:60 Long 2.50, 3.04 A assign (resid 127 and name HZ3) (resid 94 and name HD2) 3.15 1.35 1.35 ! 0.9236 257:60 Long 2.16, 3.16 A assign (resid 113 and name HA) (resid 94 and name HD2) 3.15 1.35 1.35 ! 0.9913 259:60 Long 1.93, 2.18 A assign (resid 94 and name HB2) (resid 94 and name HD2) 3.15 1.35 1.35 ! 0.0000 261:60 Intra 3.85, 3.92 A assign (resid 94 and name HB1) (resid 94 and name HD2) 3.15 1.35 1.35 ! 0.9743 262:60 Intra 2.76, 2.92 A assign (resid 113 and name HG2*) (resid 94 and name HD2) 3.65 1.85 1.85 ! 0.9964 263:60 Long 2.49, 4.71 A assign (resid 110 and name HB1) (resid 94 and name HD2) 3.65 1.85 1.85 ! 0.0000 264:60 Long 4.15, 4.73 A assign (resid 127 and name HE1) (resid 127 and name HD1) 2.65 0.85 0.85 ! 0.0000 266:60 Intra 2.55, 2.57 A assign (resid 45 and name HE1) (resid 45 and name HH2) 3.65 1.85 1.85 ! 0.0000 267:60 Intra 4.94, 4.96 A assign (resid 127 and name HN) (resid 127 and name HD1) 3.65 1.85 1.85 ! 0.9242 268:60 Intra 4.09, 4.50 A assign (resid 45 and name HZ2) (resid 45 and name HH2) 2.65 0.85 0.85 ! 0.9974 270:60 Intra 2.45, 2.46 A assign (resid 45 and name HZ3) (resid 45 and name HH2) 2.65 0.85 0.85 ! 0.0000 271:60 Intra 2.43, 2.44 A assign (resid 127 and name HA) (resid 127 and name HD1) 2.65 0.85 0.85 ! 0.0000 272:60 Intra 2.40, 2.64 A assign (resid 126 and name HA) (resid 127 and name HD1) 4.15 2.35 2.35 ! 0.0000 273:60 Seq 4.87, 5.52 A assign (resid 127 and name HB2) (resid 127 and name HD1) 3.15 1.35 1.35 ! 0.0000 274:60 Intra 3.87, 3.89 A assign (resid 127 and name HB1) (resid 127 and name HD1) 3.15 1.35 1.35 ! 0.0000 275:60 Intra 2.78, 2.92 A assign (resid 126 and name HB*) (resid 127 and name HD1) 4.15 2.35 2.35 ! 0.0000 277:60 Seq 6.08, 6.94 A assign (resid 34 and name HG2*) (resid 45 and name HH2) 3.15 1.35 1.35 ! 0.6863 278:60 Ambig 2.49, 4.32 A or (resid 125 and name HG1*) (resid 127 and name HD1) ! 0.2972 278:60 ----- 2.86, 4.16 A assign (resid 39 and name HB2) (resid 45 and name HH2) 3.65 1.85 1.85 ! 0.9718 279:60 Long 3.19, 3.65 A assign (resid 39 and name HB1) (resid 45 and name HH2) 4.15 2.35 2.35 ! 0.0000 280:60 Long 4.38, 4.70 A assign (resid 37 and name HZ2) (resid 37 and name HH2) 2.65 0.85 0.85 ! 0.9554 281:60 Intra 2.44, 2.45 A assign (resid 89 and name HA) (resid 37 and name HH2) 3.65 1.85 1.85 ! 0.7062 283:60 Ambig 4.10, 4.67 A or (resid 46 and name HA) (resid 37 and name HH2) ! 0.2938 283:60 ----- 4.74, 5.01 A assign (resid 47 and name HE*) (resid 37 and name HH2) 4.15 2.35 2.35 ! 0.9702 284:60 Long 2.71, 4.45 A assign (resid 88 and name HB) (resid 37 and name HH2) 3.65 1.85 1.85 ! 0.9840 285:60 Long 2.63, 3.52 A assign (resid 90 and name HG12) (resid 37 and name HH2) 3.65 1.85 1.85 ! 0.0000 286:60 Long 3.65, 3.85 A assign (resid 95 and name HG11) (resid 37 and name HH2) 3.65 1.85 1.85 ! 0.6278 287:60 Ambig 3.39, 3.77 A or (resid 88 and name HG2*) (resid 37 and name HH2) ! 0.3722 287:60 ----- 3.70, 5.32 A assign (resid 90 and name HD1*) (resid 37 and name HH2) 3.15 1.35 1.35 ! 0.9590 288:60 Long 2.70, 3.92 A assign (resid 127 and name HZ2) (resid 127 and name HH2) 2.65 0.85 0.85 ! 0.0000 289:60 Intra 2.44, 2.45 A assign (resid 127 and name HZ3) (resid 127 and name HH2) 2.65 0.85 0.85 ! 0.9978 290:60 Intra 2.43, 2.44 A assign (resid 94 and name HD2) (resid 127 and name HH2) 3.15 1.35 1.35 ! 0.0000 292:60 Long 2.50, 3.04 A assign (resid 113 and name HB) (resid 127 and name HH2) 4.15 2.35 2.35 ! 0.8716 293:60 Ambig 2.76, 5.31 A or (resid 113 and name HA) (resid 127 and name HH2) ! 0.1127 293:60 ----- 3.88, 4.51 A assign (resid 110 and name HG2) (resid 127 and name HH2) 3.65 1.85 1.85 ! 0.6519 294:60 Ambig 4.12, 4.89 A or (resid 125 and name HB) (resid 127 and name HH2) ! 0.3481 294:60 ----- 4.58, 5.78 A assign (resid 113 and name HG2*) (resid 127 and name HH2) 3.65 1.85 1.85 ! 0.9926 295:60 Long 2.70, 5.70 A assign (resid 110 and name HB1) (resid 127 and name HH2) 4.15 2.35 2.35 ! 0.0000 296:60 Long 4.54, 5.33 A assign (resid 70 and name HN) (resid 96 and name HH2) 4.15 2.35 2.35 ! 0.0000 297:60 Long 5.82, 6.23 A assign (resid 69 and name HA) (resid 96 and name HH2) 3.15 1.35 1.35 ! 0.9847 298:60 Long 3.02, 3.43 A assign (resid 63 and name HD1) (resid 96 and name HH2) 4.15 2.35 2.35 ! 0.9365 299:60 Long 4.56, 4.88 A assign (resid 110 and name HD2) (resid 96 and name HH2) 4.15 2.35 2.35 ! 0.0000 300:60 Long 5.48, 5.70 A assign (resid 63 and name HG2) (resid 96 and name HH2) 3.15 1.35 1.35 ! 0.9970 301:60 Long 2.45, 2.95 A assign (resid 69 and name HG) (resid 96 and name HH2) 4.15 2.35 2.35 ! 0.6055 302:60 Ambig 5.54, 6.05 A or (resid 69 and name HB2) (resid 96 and name HH2) ! 0.3945 302:60 ----- 5.95, 6.37 A assign (resid 110 and name HB2) (resid 96 and name HH2) 4.15 2.35 2.35 ! 0.9538 303:60 Ambig 2.76, 5.99 A or (resid 69 and name HD11) (resid 96 and name HH2) ! 0.0000 303:60 ----- 0.00, 0.00 A assign (resid 69 and name HD2*) (resid 96 and name HH2) 3.65 1.85 1.85 ! 0.0000 304:60 Long 3.46, 5.22 A assign (resid 127 and name HN) (resid 127 and name HE3) 4.15 2.35 2.35 ! 0.0000 305:60 Intra 2.80, 3.38 A assign (resid 127 and name HH2) (resid 127 and name HE3) 3.65 1.85 1.85 ! 0.7423 306:60 Ambig 4.25, 4.26 A or (resid 128 and name HN) (resid 127 and name HE3) ! 0.2577 306:60 ----- 5.07, 5.53 A assign (resid 127 and name HZ3) (resid 127 and name HE3) 2.65 0.85 0.85 ! 0.9011 307:60 Intra 2.44, 2.45 A assign (resid 111 and name HA) (resid 127 and name HE3) 3.15 1.35 1.35 ! 0.0000 308:60 Long 2.70, 3.01 A assign (resid 127 and name HB2) (resid 127 and name HE3) 3.65 1.85 1.85 ! 0.0000 309:60 Intra 2.36, 2.42 A assign (resid 127 and name HB1) (resid 127 and name HE3) 3.65 1.85 1.85 ! 0.0000 310:60 Intra 3.66, 3.86 A assign (resid 110 and name HG2) (resid 127 and name HE3) 3.65 1.85 1.85 ! 0.9742 311:60 Long 3.07, 3.62 A assign (resid 60 and name HD1*) (resid 127 and name HE3) 3.15 1.35 1.35 ! 0.7595 312:60 Ambig 2.22, 3.68 A or (resid 60 and name HG2*) (resid 127 and name HE3) ! 0.2405 312:60 ----- 2.69, 4.27 A assign (resid 60 and name HG11) (resid 127 and name HE3) 4.15 2.35 2.35 ! 0.0000 313:60 Long 4.67, 5.37 A assign (resid 111 and name HG1*) (resid 127 and name HE3) 4.15 2.35 2.35 ! 0.0000 314:60 Long 4.92, 5.87 A assign (resid 90 and name HN) (resid 37 and name HZ3) 3.65 1.85 1.85 ! 0.0000 316:60 Long 2.66, 3.04 A assign (resid 47 and name HN) (resid 37 and name HZ3) 3.65 1.85 1.85 ! 0.9840 317:60 Long 3.13, 3.51 A assign (resid 39 and name HN) (resid 45 and name HZ3) 3.65 1.85 1.85 ! 0.8898 319:60 Ambig 3.39, 3.81 A or (resid 37 and name HN) (resid 45 and name HZ3) ! 0.0993 319:60 ----- 4.89, 5.51 A assign (resid 127 and name HE3) (resid 127 and name HZ3) 2.65 0.85 0.85 ! 0.0000 320:60 Intra 2.44, 2.45 A assign (resid 45 and name HH2) (resid 45 and name HZ3) 2.65 0.85 0.85 ! 0.9973 321:60 Intra 2.43, 2.44 A assign (resid 127 and name HH2) (resid 127 and name HZ3) 3.15 1.35 1.35 ! 0.9984 322:60 Intra 2.43, 2.44 A assign (resid 89 and name HA) (resid 37 and name HZ3) 3.15 1.35 1.35 ! 0.7524 323:60 Ambig 1.97, 2.62 A or (resid 46 and name HA) (resid 37 and name HZ3) ! 0.2476 323:60 ----- 2.37, 2.72 A assign (resid 94 and name HD2) (resid 127 and name HZ3) 3.65 1.85 1.85 ! 0.0000 324:60 Long 2.16, 3.16 A assign (resid 45 and name HA) (resid 37 and name HZ3) 4.15 2.35 2.35 ! 0.5152 325:60 Ambig 5.17, 5.73 A or (resid 45 and name HA) (resid 45 and name HZ3) ! 0.4848 325:60 ----- 5.22, 5.47 A assign (resid 109 and name HA) (resid 96 and name HZ3) 3.65 1.85 1.85 ! 0.7961 326:60 Ambig 3.48, 3.78 A or (resid 63 and name HA) (resid 96 and name HZ3) ! 0.1404 326:60 ----- 4.65, 4.83 A assign (resid 38 and name HA) (resid 45 and name HZ3) 3.15 1.35 1.35 ! 0.9972 327:60 Long 2.78, 3.37 A assign (resid 111 and name HA) (resid 127 and name HZ3) 4.15 2.35 2.35 ! 0.0000 329:60 Long 3.90, 4.37 A assign (resid 113 and name HA) (resid 127 and name HZ3) 3.65 1.85 1.85 ! 0.4174 330:60 Ambig 4.24, 5.08 A or (resid 110 and name HA) (resid 127 and name HZ3) ! 0.3782 330:60 ----- 4.31, 4.67 A or (resid 110 and name HD1) (resid 127 and name HZ3) ! 0.1529 330:60 ----- 5.01, 5.63 A assign (resid 37 and name HB2) (resid 45 and name HZ3) 3.65 1.85 1.85 ! 0.9273 331:60 Long 3.65, 4.13 A assign (resid 110 and name HD2) (resid 96 and name HZ3) 3.15 1.35 1.35 ! 0.6667 332:60 Ambig 3.92, 4.21 A or (resid 110 and name HD2) (resid 127 and name HZ3) ! 0.3333 332:60 ----- 4.40, 5.10 A assign (resid 63 and name HD1) (resid 96 and name HZ3) 3.65 1.85 1.85 ! 0.5100 333:60 Ambig 4.20, 4.61 A or (resid 63 and name HD2) (resid 96 and name HZ3) ! 0.4230 333:60 ----- 4.34, 4.71 A assign (resid 45 and name HB2) (resid 37 and name HZ3) 3.65 1.85 1.85 ! 0.6294 334:60 Ambig 3.67, 4.47 A or (resid 89 and name HB2) (resid 37 and name HZ3) ! 0.2058 334:60 ----- 4.42, 5.27 A or (resid 46 and name HB1) (resid 37 and name HZ3) ! 0.1370 334:60 ----- 4.73, 5.01 A assign (resid 45 and name HB1) (resid 37 and name HZ3) 3.15 1.35 1.35 ! 0.4059 335:60 Ambig 3.78, 4.65 A or (resid 37 and name HB1) (resid 45 and name HZ3) ! 0.3812 335:60 ----- 3.82, 4.50 A or (resid 45 and name HB1) (resid 45 and name HZ3) ! 0.0973 335:60 ----- 4.80, 4.88 A or (resid 37 and name HB1) (resid 37 and name HZ3) ! 0.0927 335:60 ----- 4.84, 4.93 A assign (resid 63 and name HG2) (resid 96 and name HZ3) 3.15 1.35 1.35 ! 0.0000 336:60 Long 1.94, 2.08 A assign (resid 63 and name HG1) (resid 96 and name HZ3) 3.15 1.35 1.35 ! 0.9890 337:60 Long 2.33, 2.85 A assign (resid 110 and name HG2) (resid 127 and name HZ3) 3.15 1.35 1.35 ! 0.7130 338:60 Ambig 2.15, 2.93 A or (resid 63 and name HB*) (resid 96 and name HZ3) ! 0.2575 338:60 ----- 2.55, 3.68 A assign (resid 88 and name HG1*) (resid 37 and name HZ3) 3.15 1.35 1.35 ! 0.9661 339:60 Long 2.36, 3.92 A assign (resid 90 and name HG12) (resid 37 and name HZ3) 3.15 1.35 1.35 ! 0.6634 340:60 Ambig 3.98, 4.21 A or (resid 38 and name HG*) (resid 45 and name HZ3) ! 0.2958 340:60 ----- 4.56, 5.96 A assign (resid 60 and name HG2*) (resid 127 and name HZ3) 3.15 1.35 1.35 ! 0.4825 341:60 Ambig 3.58, 4.89 A or (resid 113 and name HG2*) (resid 127 and name HZ3) ! 0.2744 341:60 ----- 3.93, 7.16 A or (resid 60 and name HD1*) (resid 127 and name HZ3) ! 0.2431 341:60 ----- 4.01, 5.71 A assign (resid 90 and name HD1*) (resid 37 and name HZ3) 3.65 1.85 1.85 ! 0.5370 342:60 Ambig 3.56, 4.52 A or (resid 118 and name HG1) (resid 37 and name HZ3) ! 0.2451 342:60 ----- 4.06, 5.06 A or (resid 39 and name HB1) (resid 45 and name HZ3) ! 0.1858 342:60 ----- 4.25, 4.69 A assign (resid 110 and name HB1) (resid 96 and name HZ3) 3.65 1.85 1.85 ! 0.7873 343:60 Ambig 2.87, 3.28 A or (resid 110 and name HB1) (resid 127 and name HZ3) ! 0.1812 343:60 ----- 3.66, 4.10 A assign (resid 46 and name HN) (resid 37 and name HE3) 3.65 1.85 1.85 ! 0.0000 344:60 Long 2.95, 3.24 A assign (resid 90 and name HN) (resid 37 and name HE3) 4.15 2.35 2.35 ! 0.0000 345:60 Long 3.42, 3.94 A assign (resid 38 and name HN) (resid 37 and name HE3) 3.65 1.85 1.85 ! 0.0000 346:60 Seq 3.46, 3.87 A assign (resid 37 and name HN) (resid 37 and name HE3) 3.65 1.85 1.85 ! 0.8449 347:60 Ambig 5.12, 5.36 A or (resid 39 and name HN) (resid 37 and name HE3) ! 0.1551 347:60 ----- 6.79, 7.23 A assign (resid 37 and name HZ3) (resid 37 and name HE3) 3.15 1.35 1.35 ! 0.9956 348:60 Intra 2.45, 2.46 A assign (resid 46 and name HA) (resid 37 and name HE3) 3.15 1.35 1.35 ! 0.9105 350:60 Long 2.19, 2.70 A assign (resid 45 and name HA) (resid 37 and name HE3) 3.65 1.85 1.85 ! 0.9508 351:60 Long 3.85, 4.16 A assign (resid 37 and name HA) (resid 37 and name HE3) 3.15 1.35 1.35 ! 0.9812 352:60 Intra 2.89, 3.25 A assign (resid 37 and name HB2) (resid 37 and name HE3) 3.15 1.35 1.35 ! 0.0000 353:60 Intra 3.97, 4.08 A assign (resid 45 and name HB1) (resid 37 and name HE3) 3.15 1.35 1.35 ! 0.6334 354:60 Ambig 2.23, 2.75 A or (resid 37 and name HB1) (resid 37 and name HE3) ! 0.3666 354:60 ----- 2.44, 2.55 A assign (resid 90 and name HB) (resid 37 and name HE3) 3.65 1.85 1.85 ! 0.7532 355:60 Ambig 4.15, 4.46 A or (resid 90 and name HG12) (resid 37 and name HE3) ! 0.1837 355:60 ----- 5.24, 5.87 A assign (resid 90 and name HG11) (resid 37 and name HE3) 3.15 1.35 1.35 ! 0.7545 356:60 Ambig 3.49, 4.15 A or (resid 88 and name HG1*) (resid 37 and name HE3) ! 0.1164 356:60 ----- 4.77, 6.17 A or (resid 47 and name HB2) (resid 37 and name HE3) ! 0.1049 356:60 ----- 4.85, 5.23 A assign (resid 118 and name HG2) (resid 37 and name HE3) 3.65 1.85 1.85 ! 0.7306 357:60 Ambig 3.44, 4.49 A or (resid 47 and name HD1) (resid 37 and name HE3) ! 0.2585 357:60 ----- 4.09, 4.91 A assign (resid 118 and name HG1) (resid 37 and name HE3) 3.65 1.85 1.85 ! 0.5767 359:60 Ambig 3.51, 4.25 A or (resid 90 and name HD1*) (resid 37 and name HE3) ! 0.4233 359:60 ----- 3.69, 5.30 A assign (resid 46 and name HN) (resid 45 and name HE3) 3.65 1.85 1.85 ! 0.0000 360:60 Seq 3.51, 3.96 A assign (resid 109 and name HN) (resid 96 and name HE3) 3.65 1.85 1.85 ! 0.0000 361:60 Long 3.35, 3.59 A assign (resid 97 and name HN) (resid 96 and name HE3) 3.65 1.85 1.85 ! 0.7480 362:60 Ambig 3.81, 4.13 A or (resid 108 and name HN) (resid 96 and name HE3) ! 0.2283 362:60 ----- 4.64, 4.83 A assign (resid 38 and name HN) (resid 45 and name HE3) 3.65 1.85 1.85 ! 0.0000 363:60 Long 3.12, 3.63 A assign (resid 39 and name HN) (resid 45 and name HE3) 3.65 1.85 1.85 ! 0.7664 364:60 Ambig 3.64, 3.92 A or (resid 37 and name HN) (resid 45 and name HE3) ! 0.2336 364:60 ----- 4.44, 4.95 A assign (resid 96 and name HZ3) (resid 96 and name HE3) 3.15 1.35 1.35 ! 0.9982 366:60 Intra 2.43, 2.45 A assign (resid 45 and name HZ3) (resid 45 and name HE3) 3.15 1.35 1.35 ! 0.9954 367:60 Intra 2.44, 2.46 A assign (resid 45 and name HA) (resid 45 and name HE3) 3.65 1.85 1.85 ! 0.0000 369:60 Intra 3.15, 3.39 A assign (resid 96 and name HA) (resid 96 and name HE3) 3.15 1.35 1.35 ! 0.4410 370:60 Ambig 3.23, 3.47 A or (resid 109 and name HA) (resid 96 and name HE3) ! 0.3894 370:60 ----- 3.30, 3.54 A or (resid 108 and name HA) (resid 96 and name HE3) ! 0.1520 370:60 ----- 3.86, 4.01 A assign (resid 110 and name HA) (resid 96 and name HE3) 3.65 1.85 1.85 ! 0.5942 371:60 Ambig 3.03, 3.26 A or (resid 110 and name HD1) (resid 96 and name HE3) ! 0.4029 371:60 ----- 3.23, 3.48 A assign (resid 38 and name HA) (resid 45 and name HE3) 3.15 1.35 1.35 ! 0.0000 372:60 Long 2.94, 3.39 A assign (resid 110 and name HD2) (resid 96 and name HE3) 3.65 1.85 1.85 ! 0.0000 373:60 Long 4.54, 4.71 A assign (resid 96 and name HB2) (resid 96 and name HE3) 3.15 1.35 1.35 ! 0.8007 374:60 Ambig 3.97, 4.03 A or (resid 109 and name HB2) (resid 96 and name HE3) ! 0.1373 374:60 ----- 5.33, 5.49 A assign (resid 37 and name HB2) (resid 45 and name HE3) 3.15 1.35 1.35 ! 0.9984 375:60 Long 2.34, 3.02 A assign (resid 96 and name HB1) (resid 96 and name HE3) 3.15 1.35 1.35 ! 0.7048 376:60 Ambig 2.45, 2.49 A or (resid 108 and name HB2) (resid 96 and name HE3) ! 0.2941 376:60 ----- 2.83, 3.12 A assign (resid 37 and name HB1) (resid 45 and name HE3) 2.65 0.85 0.85 ! 0.6981 377:60 Ambig 2.09, 2.50 A or (resid 45 and name HB1) (resid 45 and name HE3) ! 0.3019 377:60 ----- 2.40, 2.49 A assign (resid 108 and name HB1) (resid 96 and name HE3) 3.15 1.35 1.35 ! 0.9744 378:60 Long 2.03, 2.22 A assign (resid 118 and name HD2) (resid 45 and name HE3) 4.15 2.35 2.35 ! 0.5951 379:60 Ambig 4.67, 5.31 A or (resid 39 and name HD1) (resid 45 and name HE3) ! 0.4049 379:60 ----- 4.98, 6.26 A assign (resid 39 and name HG2) (resid 45 and name HE3) 4.15 2.35 2.35 ! 0.6522 380:60 Ambig 5.91, 6.18 A or (resid 90 and name HG11) (resid 45 and name HE3) ! 0.1934 380:60 ----- 7.24, 7.63 A or (resid 47 and name HB2) (resid 45 and name HE3) ! 0.1544 380:60 ----- 7.52, 7.92 A assign (resid 118 and name HB2) (resid 45 and name HE3) 4.15 2.35 2.35 ! 0.0000 381:60 Long 3.44, 4.08 A assign (resid 118 and name HG2) (resid 45 and name HE3) 3.65 1.85 1.85 ! 0.9515 382:60 Long 2.87, 3.64 A assign (resid 67 and name HB*) (resid 96 and name HE3) 4.15 2.35 2.35 ! 0.6041 383:60 Ambig 3.48, 4.62 A or (resid 110 and name HB1) (resid 96 and name HE3) ! 0.3959 383:60 ----- 3.74, 4.06 A assign (resid 118 and name HG1) (resid 45 and name HE3) 3.65 1.85 1.85 ! 0.6807 384:60 Ambig 4.03, 4.93 A or (resid 39 and name HB1) (resid 45 and name HE3) ! 0.2575 384:60 ----- 4.74, 5.04 A assign (resid 103 and name HA) (resid 102 and name HE*) 3.65 1.85 1.85 ! 0.9224 390:60 Seq 4.14, 5.97 A assign (resid 46 and name HN) (resid 46 and name HE*) 3.65 1.85 1.85 ! 0.0000 391:60 Intra 4.12, 5.12 A assign (resid 109 and name HN) (resid 99 and name HE*) 3.65 1.85 1.85 ! 0.9978 392:60 Long 2.55, 5.01 A assign (resid 41 and name HN) (resid 46 and name HE*) 4.15 2.35 2.35 ! 0.0000 394:60 Long 4.50, 6.76 A assign (resid 40 and name HN) (resid 46 and name HE*) 3.65 1.85 1.85 ! 0.0000 395:60 Long 2.98, 5.40 A assign (resid 101 and name HN) (resid 99 and name HE*) 3.65 1.85 1.85 ! 0.7863 396:60 Ambig 4.28, 6.21 A or (resid 100 and name HN) (resid 99 and name HE*) ! 0.2137 396:60 ----- 5.32, 6.67 A assign (resid 99 and name HN) (resid 99 and name HE*) 4.15 2.35 2.35 ! 0.0000 397:60 Intra 4.31, 5.08 A assign (resid 103 and name HN) (resid 102 and name HE1) 4.15 2.35 2.35 ! 0.7000 403:60 Ambig 3.82, 6.57 A or (resid 103 and name HN) (resid 102 and name HE2) ! 0.3000 403:60 ----- 4.40, 4.95 A or (resid 103 and name HD21) (resid 102 and name HE1) ! 0.0000 403:60 ----- 0.00, 0.00 A or (resid 103 and name HD21) (resid 102 and name HE2) ! 0.0000 403:60 ----- 0.00, 0.00 A assign (resid 40 and name HD21) (resid 42 and name HE*) 4.15 2.35 2.35 ! 0.9972 406:60 Mid 2.53, 6.22 A assign (resid 42 and name HN) (resid 42 and name HE1) 3.65 1.85 1.85 ! 0.9850 407:60 Ambig 2.22, 5.18 A or (resid 42 and name HN) (resid 42 and name HE2) ! 0.0000 407:60 ----- 0.00, 0.00 A or (resid 40 and name HD22) (resid 42 and name HE1) ! 0.0000 407:60 ----- 0.00, 0.00 A or (resid 40 and name HD22) (resid 42 and name HE2) ! 0.0000 407:60 ----- 0.00, 0.00 A assign (resid 40 and name HD22) (resid 46 and name HE*) 4.15 2.35 2.35 ! 0.0000 409:60 Long 4.28, 6.21 A assign (resid 40 and name HD21) (resid 46 and name HE*) 3.65 1.85 1.85 ! 0.0000 410:60 Long 3.18, 5.17 A assign (resid 39 and name HN) (resid 46 and name HE*) 3.65 1.85 1.85 ! 0.0000 411:60 Long 4.01, 6.19 A assign (resid 102 and name HD*) (resid 102 and name HE*) 2.30 0.50 0.50 ! 0.0000 412:60 Intra 2.44, 3.68 A assign (resid 42 and name HD*) (resid 42 and name HE*) 2.30 0.50 0.50 ! 0.8252 413:60 Ambig 2.44, 3.68 A or (resid 68 and name HE*) (resid 42 and name HE*) ! 0.1651 413:60 ----- 3.19, 6.30 A assign (resid 6 and name HD*) (resid 6 and name HE*) 2.30 0.50 0.50 ! 0.0000 414:60 Intra 2.44, 3.68 A assign (resid 46 and name HD*) (resid 46 and name HE*) 2.65 0.85 0.85 ! 0.0000 415:60 Intra 2.44, 3.68 A assign (resid 45 and name HA) (resid 46 and name HE*) 4.15 2.35 2.35 ! 0.0000 417:60 Seq 4.79, 6.42 A assign (resid 40 and name HA) (resid 46 and name HE*) 3.15 1.35 1.35 ! 0.0000 418:60 Long 2.27, 4.79 A assign (resid 66 and name HA) (resid 108 and name HE*) 3.65 1.85 1.85 ! 0.0000 420:60 Long 2.65, 4.70 A assign (resid 62 and name HB) (resid 99 and name HE*) 4.15 2.35 2.35 ! 0.0000 424:60 Long 3.65, 5.42 A assign (resid 102 and name HB2) (resid 102 and name HE*) 3.65 1.85 1.85 ! 0.5082 426:60 Ambig 4.62, 5.05 A or (resid 102 and name HB1) (resid 102 and name HE*) ! 0.4918 426:60 ----- 4.64, 5.06 A assign (resid 42 and name HB2) (resid 42 and name HE*) 3.65 1.85 1.85 ! 0.0000 427:60 Intra 4.58, 5.04 A assign (resid 48 and name HD1) (resid 46 and name HE*) 3.65 1.85 1.85 ! 0.0000 428:60 Mid 3.13, 5.84 A assign (resid 40 and name HB2) (resid 46 and name HE*) 3.65 1.85 1.85 ! 0.9941 429:60 Long 2.06, 4.35 A assign (resid 46 and name HB2) (resid 46 and name HE*) 3.65 1.85 1.85 ! 0.0000 430:60 Intra 4.58, 5.04 A assign (resid 42 and name HB1) (resid 42 and name HE*) 3.65 1.85 1.85 ! 0.0000 431:60 Intra 4.71, 5.06 A assign (resid 67 and name HD2) (resid 108 and name HE*) 3.65 1.85 1.85 ! 0.3614 432:60 Ambig 4.45, 5.55 A or (resid 96 and name HB1) (resid 108 and name HE*) ! 0.3564 432:60 ----- 4.46, 5.82 A or (resid 108 and name HB2) (resid 108 and name HE*) ! 0.2823 432:60 ----- 4.63, 5.04 A assign (resid 103 and name HB1) (resid 102 and name HE*) 4.15 2.35 2.35 ! 0.0000 433:60 Seq 2.85, 5.37 A assign (resid 87 and name HG1) (resid 46 and name HE*) 4.15 2.35 2.35 ! 0.8258 434:60 Ambig 4.02, 6.09 A or (resid 87 and name HG2) (resid 46 and name HE*) ! 0.1742 434:60 ----- 5.21, 6.95 A assign (resid 40 and name HB1) (resid 46 and name HE*) 3.15 1.35 1.35 ! 0.7899 435:60 Ambig 1.95, 5.32 A or (resid 38 and name HE*) (resid 46 and name HE*) ! 0.2060 435:60 ----- 2.44, 6.53 A assign (resid 109 and name HB2) (resid 99 and name HE*) 3.15 1.35 1.35 ! 0.9945 436:60 Long 1.91, 3.92 A assign (resid 109 and name HB1) (resid 99 and name HE*) 3.15 1.35 1.35 ! 0.9762 437:60 Long 2.47, 4.84 A assign (resid 67 and name HD1) (resid 42 and name HE2) 3.65 1.85 1.85 ! 0.6773 439:60 Ambig 3.50, 5.77 A or (resid 41 and name HG1) (resid 42 and name HE2) ! 0.3227 439:60 ----- 3.96, 7.06 A or (resid 41 and name HG1) (resid 42 and name HE1) ! 0.0000 439:60 ----- 0.00, 0.00 A or (resid 41 and name HG2) (resid 42 and name HE2) ! 0.0000 439:60 ----- 0.00, 0.00 A or (resid 67 and name HD1) (resid 42 and name HE1) ! 0.0000 439:60 ----- 0.00, 0.00 A or (resid 41 and name HG2) (resid 42 and name HE1) ! 0.0000 439:60 ----- 0.00, 0.00 A assign (resid 101 and name HB*) (resid 102 and name HE*) 3.65 1.85 1.85 ! 0.0000 442:60 Seq 3.30, 5.96 A assign (resid 38 and name HD*) (resid 46 and name HE*) 3.65 1.85 1.85 ! 0.8029 443:60 Ambig 2.53, 5.28 A or (resid 38 and name HB2) (resid 46 and name HE*) ! 0.1971 443:60 ----- 3.20, 4.31 A assign (resid 97 and name HG12) (resid 99 and name HE*) 3.65 1.85 1.85 ! 0.0000 444:60 Mid 3.38, 5.95 A assign (resid 38 and name HB1) (resid 46 and name HE*) 3.15 1.35 1.35 ! 0.0000 445:60 Long 2.90, 4.40 A assign (resid 38 and name HG*) (resid 46 and name HE*) 4.15 2.35 2.35 ! 0.0000 446:60 Long 2.90, 5.71 A assign (resid 97 and name HG11) (resid 99 and name HE*) 3.15 1.35 1.35 ! 0.9493 449:60 Mid 2.22, 4.68 A assign (resid 107 and name HB) (resid 99 and name HE*) 3.15 1.35 1.35 ! 0.5866 450:60 Ambig 2.71, 3.71 A or (resid 107 and name HG1*) (resid 99 and name HE*) ! 0.3550 450:60 ----- 2.94, 4.58 A assign (resid 97 and name HD1*) (resid 99 and name HE*) 2.65 0.85 0.85 ! 0.7317 454:60 Ambig 2.73, 5.61 A or (resid 107 and name HG2*) (resid 99 and name HE*) ! 0.2683 454:60 ----- 3.22, 5.62 A assign (resid 53 and name HN) (resid 85 and name HE*) 4.15 2.35 2.35 ! 0.0000 460:60 Long 2.94, 5.49 A assign (resid 85 and name HN) (resid 85 and name HE*) 4.15 2.35 2.35 ! 0.5428 461:60 Ambig 4.23, 4.86 A or (resid 88 and name HN) (resid 85 and name HE*) ! 0.3330 461:60 ----- 4.59, 7.40 A or (resid 86 and name HN) (resid 85 and name HE*) ! 0.1002 461:60 ----- 5.61, 6.89 A assign (resid 130 and name HD*) (resid 85 and name HE*) 3.65 1.85 1.85 ! 0.0000 462:60 Long 2.08, 5.92 A assign (resid 85 and name HD*) (resid 85 and name HE*) 3.15 1.35 1.35 ! 0.0000 463:60 Intra 2.44, 3.69 A assign (resid 130 and name HE*) (resid 85 and name HE*) 3.15 1.35 1.35 ! 0.4340 465:60 Ambig 3.32, 6.66 A or (resid 53 and name HD*) (resid 85 and name HE*) ! 0.3305 465:60 ----- 3.47, 6.57 A or (resid 51 and name HN) (resid 85 and name HE*) ! 0.2355 465:60 ----- 3.67, 4.57 A assign (resid 108 and name HA) (resid 99 and name HE*) 3.65 1.85 1.85 ! 0.6343 466:60 Ambig 3.43, 5.44 A or (resid 109 and name HA) (resid 99 and name HE*) ! 0.3385 466:60 ----- 3.81, 5.88 A assign (resid 53 and name HA) (resid 85 and name HE*) 4.15 2.35 2.35 ! 0.0000 467:60 Long 2.89, 5.44 A assign (resid 53 and name HB1) (resid 85 and name HE*) 3.65 1.85 1.85 ! 0.8343 469:60 Ambig 2.58, 5.42 A or (resid 130 and name HB1) (resid 85 and name HE*) ! 0.1657 469:60 ----- 3.38, 5.26 A assign (resid 53 and name HB2) (resid 85 and name HE*) 3.65 1.85 1.85 ! 0.0000 470:60 Long 1.91, 4.12 A assign (resid 49 and name HB*) (resid 85 and name HE*) 3.15 1.35 1.35 ! 0.9491 473:60 Long 2.74, 6.34 A assign (resid 51 and name HB*) (resid 85 and name HE*) 3.15 1.35 1.35 ! 0.9730 474:60 Long 2.37, 4.15 A assign (resid 88 and name HG2*) (resid 85 and name HE*) 3.15 1.35 1.35 ! 0.9829 475:60 Mid 1.95, 4.58 A assign (resid 97 and name HG2*) (resid 85 and name HE*) 4.15 2.35 2.35 ! 0.0000 476:60 Long 3.11, 4.56 A assign (resid 97 and name HD1*) (resid 85 and name HE*) 4.15 2.35 2.35 ! 0.9306 477:60 Long 3.39, 5.65 A assign (resid 121 and name HN) (resid 121 and name HD2) 4.15 2.35 2.35 ! 0.8238 478:60 Ambig 4.22, 4.39 A or (resid 124 and name HN) (resid 121 and name HD2) ! 0.1762 478:60 ----- 5.46, 6.37 A assign (resid 45 and name HE1) (resid 45 and name HZ2) 3.15 1.35 1.35 ! 0.0000 481:60 Intra 2.80, 2.82 A assign (resid 37 and name HE1) (resid 37 and name HZ2) 3.15 1.35 1.35 ! 0.0000 482:60 Intra 2.78, 2.81 A assign (resid 127 and name HE1) (resid 127 and name HZ2) 3.15 1.35 1.35 ! 0.0000 483:60 Intra 2.79, 2.81 A assign (resid 113 and name HN) (resid 127 and name HZ2) 4.15 2.35 2.35 ! 0.0000 484:60 Long 4.29, 4.86 A assign (resid 45 and name HH2) (resid 45 and name HZ2) 2.65 0.85 0.85 ! 0.0000 485:60 Intra 2.45, 2.46 A assign (resid 37 and name HH2) (resid 37 and name HZ2) 2.65 0.85 0.85 ! 0.0000 488:60 Intra 2.44, 2.45 A assign (resid 127 and name HH2) (resid 127 and name HZ2) 2.65 0.85 0.85 ! 0.0000 489:60 Intra 2.44, 2.45 A assign (resid 94 and name HD2) (resid 127 and name HZ2) 3.65 1.85 1.85 ! 0.0000 491:60 Long 4.16, 4.98 A assign (resid 113 and name HB) (resid 127 and name HZ2) 4.15 2.35 2.35 ! 0.9345 494:60 Long 3.24, 5.48 A assign (resid 112 and name HA) (resid 127 and name HZ2) 4.15 2.35 2.35 ! 0.0000 495:60 Long 4.72, 5.16 A assign (resid 39 and name HE1) (resid 45 and name HZ2) 3.65 1.85 1.85 ! 0.8401 496:60 Ambig 2.52, 4.70 A or (resid 39 and name HE2) (resid 45 and name HZ2) ! 0.1599 496:60 ----- 3.32, 4.99 A assign (resid 47 and name HE*) (resid 37 and name HZ2) 3.65 1.85 1.85 ! 0.9678 497:60 Long 2.21, 3.78 A assign (resid 88 and name HB) (resid 37 and name HZ2) 4.15 2.35 2.35 ! 0.8706 498:60 Ambig 4.14, 5.02 A or (resid 49 and name HB*) (resid 37 and name HZ2) ! 0.0864 498:60 ----- 6.08, 6.98 A assign (resid 39 and name HB2) (resid 45 and name HZ2) 3.65 1.85 1.85 ! 0.8464 499:60 Ambig 3.45, 3.80 A or (resid 117 and name HG1*) (resid 45 and name HZ2) ! 0.1536 499:60 ----- 4.59, 6.68 A assign (resid 39 and name HD1) (resid 45 and name HZ2) 3.65 1.85 1.85 ! 0.9159 501:60 Long 2.65, 4.04 A assign (resid 90 and name HG12) (resid 37 and name HZ2) 3.65 1.85 1.85 ! 0.5929 502:60 Ambig 4.88, 5.33 A or (resid 90 and name HB) (resid 37 and name HZ2) ! 0.2584 502:60 ----- 5.61, 6.23 A or (resid 95 and name HG12) (resid 37 and name HZ2) ! 0.1487 502:60 ----- 6.15, 6.78 A assign (resid 88 and name HG1*) (resid 37 and name HZ2) 3.15 1.35 1.35 ! 0.8196 503:60 Ambig 3.50, 4.81 A or (resid 118 and name HB1) (resid 37 and name HZ2) ! 0.1804 503:60 ----- 4.51, 5.20 A assign (resid 113 and name HG2*) (resid 127 and name HZ2) 3.65 1.85 1.85 ! 0.0000 504:60 Long 3.32, 6.09 A assign (resid 39 and name HG1) (resid 45 and name HZ2) 4.15 2.35 2.35 ! 0.6888 505:60 Ambig 4.13, 4.69 A or (resid 118 and name HG2) (resid 45 and name HZ2) ! 0.3112 505:60 ----- 4.71, 5.49 A assign (resid 47 and name HD1) (resid 37 and name HZ2) 3.65 1.85 1.85 ! 0.9884 506:60 Long 2.90, 3.52 A assign (resid 39 and name HB1) (resid 45 and name HZ2) 4.15 2.35 2.35 ! 0.7990 507:60 Ambig 4.53, 5.04 A or (resid 118 and name HG1) (resid 45 and name HZ2) ! 0.2010 507:60 ----- 5.70, 7.07 A assign (resid 90 and name HD1*) (resid 37 and name HZ2) 3.65 1.85 1.85 ! 0.9289 508:60 Long 3.11, 4.25 A assign (resid 96 and name HE1) (resid 96 and name HZ2) 3.15 1.35 1.35 ! 0.0000 511:60 Intra 2.79, 2.82 A assign (resid 69 and name HN) (resid 96 and name HZ2) 3.65 1.85 1.85 ! 0.5085 512:60 Ambig 4.11, 4.60 A or (resid 94 and name HN) (resid 96 and name HZ2) ! 0.4779 512:60 ----- 4.15, 4.96 A assign (resid 68 and name HA) (resid 96 and name HZ2) 3.65 1.85 1.85 ! 0.9626 517:60 Long 4.09, 4.50 A assign (resid 63 and name HG2) (resid 96 and name HZ2) 3.65 1.85 1.85 ! 0.5582 518:60 Ambig 4.67, 5.21 A or (resid 91 and name HB2) (resid 96 and name HZ2) ! 0.2850 518:60 ----- 5.22, 5.67 A or (resid 68 and name HB1) (resid 96 and name HZ2) ! 0.1568 518:60 ----- 5.77, 6.10 A assign (resid 69 and name HG) (resid 96 and name HZ2) 3.65 1.85 1.85 ! 0.7954 519:60 Ambig 3.79, 4.50 A or (resid 69 and name HB2) (resid 96 and name HZ2) ! 0.2046 519:60 ----- 4.75, 5.45 A assign (resid 69 and name HD1*) (resid 96 and name HZ2) 3.65 1.85 1.85 ! 0.0000 520:60 Long 2.00, 4.69 A assign (resid 69 and name HD2*) (resid 96 and name HZ2) 3.15 1.35 1.35 ! 0.0000 521:60 Long 1.96, 3.51 A assign (resid 122 and name HN) (resid 121 and name HD2) 4.15 2.35 2.35 ! 0.0000 522:60 Seq 4.39, 4.94 A assign (resid 121 and name HE1) (resid 121 and name HD2) 4.15 2.35 2.35 ! 0.8120 523:60 Ambig 4.23, 4.23 A or (resid 37 and name HZ2) (resid 121 and name HD2) ! 0.1880 523:60 ----- 5.39, 6.64 A assign (resid 121 and name HA) (resid 121 and name HD2) 3.65 1.85 1.85 ! 0.0000 525:60 Intra 4.46, 4.68 A assign (resid 123 and name HD1) (resid 121 and name HD2) 3.65 1.85 1.85 ! 0.9641 527:60 Mid 2.34, 3.41 A assign (resid 121 and name HB2) (resid 121 and name HD2) 3.15 1.35 1.35 ! 0.9191 528:60 Intra 2.73, 2.81 A assign (resid 123 and name HG1) (resid 121 and name HD2) 3.15 1.35 1.35 ! 0.9633 529:60 Ambig 2.22, 3.86 A or (resid 121 and name HB1) (resid 121 and name HD2) ! 0.0000 529:60 ----- 0.00, 0.00 A or (resid 123 and name HG2) (resid 121 and name HD2) ! 0.0000 529:60 ----- 0.00, 0.00 A assign (resid 125 and name HB) (resid 127 and name HZ2) 4.15 2.35 2.35 ! 0.9828 532:60 Mid 3.19, 4.26 A assign (resid 96 and name HE3) (resid 96 and name HZ2) 4.15 2.35 2.35 ! 0.8705 533:60 Ambig 4.97, 4.98 A or (resid 68 and name HD*) (resid 96 and name HZ2) ! 0.1295 533:60 ----- 6.83, 7.51 A assign (resid 94 and name HB2) (resid 96 and name HZ2) 4.15 2.35 2.35 ! 0.0000 534:60 Mid 2.84, 3.18 A assign (resid 47 and name HB2) (resid 46 and name HD*) 3.65 1.85 1.85 ! 0.3727 537:60 Ambig 5.43, 6.99 A or (resid 39 and name HG2) (resid 46 and name HD*) ! 0.3626 537:60 ----- 5.46, 7.93 A or (resid 39 and name HB2) (resid 46 and name HD*) ! 0.2646 537:60 ----- 5.75, 7.84 A assign (resid 66 and name HB2) (resid 68 and name HD*) 3.15 1.35 1.35 ! 0.9024 538:60 Mid 2.54, 4.89 A assign (resid 68 and name HB1) (resid 68 and name HD*) 3.15 1.35 1.35 ! 0.9925 539:60 Intra 2.50, 3.04 A assign (resid 111 and name HB) (resid 130 and name HE*) 3.65 1.85 1.85 ! 0.8987 540:60 Ambig 2.46, 3.57 A or (resid 111 and name HB) (resid 53 and name HD*) ! 0.0943 540:60 ----- 3.59, 4.64 A assign (resid 111 and name HG1*) (resid 130 and name HE*) 3.65 1.85 1.85 ! 0.7597 541:60 Ambig 2.71, 5.23 A or (resid 111 and name HG1*) (resid 53 and name HD*) ! 0.2403 541:60 ----- 3.29, 4.45 A assign (resid 126 and name HB*) (resid 130 and name HZ) 3.65 1.85 1.85 ! 0.0000 542:60 Mid 3.53, 4.96 A assign (resid 118 and name HD2) (resid 45 and name HD1) 3.65 1.85 1.85 ! 0.6385 543:60 Ambig 3.18, 3.92 A or (resid 39 and name HD1) (resid 45 and name HD1) ! 0.3018 543:60 ----- 3.60, 6.03 A assign (resid 91 and name HB2) (resid 96 and name HD1) 3.65 1.85 1.85 ! 0.9848 544:60 Long 2.58, 3.28 A assign (resid 110 and name HB2) (resid 94 and name HD2) 3.15 1.35 1.35 ! 0.0000 545:60 Long 2.70, 3.43 A assign (resid 63 and name HB*) (resid 96 and name HH2) 3.65 1.85 1.85 ! 0.7779 546:60 Ambig 3.95, 4.75 A or (resid 110 and name HG2) (resid 96 and name HH2) ! 0.1423 546:60 ----- 5.24, 5.52 A assign (resid 45 and name HB2) (resid 37 and name HE3) 3.15 1.35 1.35 ! 0.8868 547:60 Ambig 3.01, 3.48 A or (resid 46 and name HB1) (resid 37 and name HE3) ! 0.0772 547:60 ----- 4.52, 4.86 A assign (resid 45 and name HB2) (resid 45 and name HE3) 3.15 1.35 1.35 ! 0.9397 548:60 Intra 3.95, 4.05 A assign (resid 39 and name HD2) (resid 45 and name HZ2) 3.65 1.85 1.85 ! 0.8862 550:60 Ambig 2.61, 3.67 A or (resid 34 and name HG2*) (resid 45 and name HZ2) ! 0.1138 550:60 ----- 3.68, 5.95 A assign (resid 69 and name HA) (resid 96 and name HZ2) 3.65 1.85 1.85 ! 0.0000 551:60 Long 2.41, 3.19 A assign (resid 37 and name HE1) (resid 37 and name HD1) 3.15 1.35 1.35 ! 0.5031 552:60 Ambig 2.55, 2.58 A or (resid 45 and name HE1) (resid 45 and name HD1) ! 0.4969 552:60 ----- 2.56, 2.57 A assign (resid 34 and name HG21) (resid 45 and name HH2) 3.15 1.35 1.35 ! 0.0000 554:60 Long 2.49, 4.32 A assign (resid 110 and name HD1) (resid 96 and name HZ3) 3.65 1.85 1.85 ! 0.9548 555:60 Long 2.17, 2.46 A assign (resid 95 and name HD1*) (resid 37 and name HH2) 3.15 1.35 1.35 ! 0.5540 558:60 Ambig 2.30, 3.99 A or (resid 90 and name HG11) (resid 37 and name HH2) ! 0.4395 558:60 ----- 2.39, 2.79 A
Contact the webmaster for help, if required. Saturday, May 18, 2024 3:09:11 AM GMT (wattos1)