NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
638631 |
6msp   |
30527 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
assign (resid 92 and name HB1 ) (resid 92 and name HE1 ) 3.80 2.00 2.00 !peak 11 #SUP 0.67 #QF 0.67 assign (resid 90 and name HB2 ) (resid 92 and name HE1 ) 4.22 2.42 2.42 !peak 13 #SUP 0.83 #QF 0.83 assign (resid 90 and name HB1 ) (resid 92 and name HE1 ) 3.86 2.06 2.06 !peak 14 #SUP 0.93 #QF 0.20 assign (resid 28 and name HD2* ) (resid 92 and name HE1 ) 3.53 1.73 1.73 !peak 16 #SUP 0.98 #QF 0.98 assign (resid 28 and name HD1* ) (resid 92 and name HE1 ) 3.53 1.73 1.73 !peak 17 #SUP 0.70 #QF 0.70 assign (resid 52 and name HN ) (resid 53 and name HN ) 3.46 1.66 1.66 !peak 21 #SUP 0.96 #QF 0.96 assign (resid 44 and name HN ) (resid 82 and name HN ) 2.92 1.12 1.12 !peak 22 #SUP 0.82 #QF 0.82 assign (resid 44 and name HN ) (resid 44 and name HD2 ) 3.14 1.34 1.34 !peak 24 #SUP 0.92 #QF 0.92 assign (resid 51 and name HA ) (resid 52 and name HN ) 2.46 0.66 0.66 !peak 26 #SUP 0.87 #QF 0.87 assign (resid 44 and name HN ) (resid 49 and name HA ) 3.87 2.07 2.07 !peak 27 #SUP 0.36 #QF 0.36 assign (resid 43 and name HA ) (resid 44 and name HN ) 2.53 0.73 0.73 !peak 29 #SUP 0.86 #QF 0.86 assign (resid 44 and name HN ) (resid 44 and name HB2 ) 2.67 0.87 0.87 !peak 31 #SUP 0.82 #QF 0.82 assign (resid 51 and name HG1 ) (resid 52 and name HN ) 3.04 1.24 1.24 !peak 33 #SUP 0.91 #QF 0.91 assign (resid 51 and name HG2 ) (resid 52 and name HN ) 3.06 1.26 1.26 !peak 34 #SUP 0.88 #QF 0.88 assign (resid 52 and name HN ) (resid 52 and name HB ) 2.77 0.97 0.97 !peak 35 #SUP 0.98 #QF 0.98 assign (resid 52 and name HN ) (resid 52 and name HG12 ) 3.40 1.60 1.60 !peak 36 #SUP 0.99 #QF 0.99 assign (resid 44 and name HN ) (resid 45 and name HG12 ) 4.09 2.29 2.29 !peak 37 #SUP 0.46 #QF 0.46 assign (resid 43 and name HG1* ) (resid 44 and name HN ) 2.72 0.92 0.92 !peak 38 #SUP 0.91 #QF 0.91 assign (resid 96 and name HN ) (resid 97 and name HN ) 3.57 1.77 1.77 !peak 40 #SUP 0.99 #QF 0.99 assign (resid 97 and name HN ) (resid 97 and name HB2 ) 3.13 1.33 1.33 !peak 47 #SUP 0.98 #QF 0.98 assign (resid 97 and name HN ) (resid 97 and name HB1 ) 3.13 1.33 1.33 !peak 48 #SUP 0.87 #QF 0.87 assign (resid 97 and name HN ) (resid 97 and name HD2 ) 4.13 2.33 2.33 !peak 49 #SUP 0.89 #QF 0.68 assign (resid 97 and name HN ) (resid 97 and name HD1 ) 4.13 2.33 2.33 !peak 49 #SUP 0.89 #QF 0.68 assign (resid 97 and name HN ) (resid 97 and name HG2 ) 3.86 2.06 2.06 !peak 50 #SUP 1.00 #QF 0.83 assign (resid 97 and name HN ) (resid 97 and name HG1 ) 3.86 2.06 2.06 !peak 50 #SUP 1.00 #QF 0.83 assign (resid 40 and name HN ) (resid 41 and name HN ) 3.46 1.66 1.66 !peak 54 #SUP 0.63 #QF 0.63 assign (resid 41 and name HN ) (resid 53 and name HA ) 2.98 1.18 1.18 !peak 55 #SUP 0.54 #QF 0.54 assign (resid 40 and name HA ) (resid 41 and name HN ) 2.54 0.74 0.74 !peak 57 #SUP 0.70 #QF 0.70 assign (resid 41 and name HN ) (resid 41 and name HB ) 2.65 0.85 0.85 !peak 58 #SUP 0.70 #QF 0.70 assign (resid 41 and name HN ) (resid 52 and name HB ) 3.09 1.29 1.28 !peak 60 #SUP 0.79 #QF 0.79 assign (resid 41 and name HN ) (resid 65 and name HG ) 4.35 2.55 2.55 !peak 61 #SUP 0.89 #QF 0.85 assign (resid 41 and name HN ) (resid 41 and name HG2* ) 2.51 0.71 0.71 !peak 62 #SUP 0.44 #QF 0.44 assign (resid 41 and name HN ) (resid 52 and name HG2* ) 3.33 1.53 1.53 !peak 63 #SUP 0.50 #QF 0.50 assign (resid 39 and name HG2* ) (resid 41 and name HN ) 3.23 1.43 1.43 !peak 64 #SUP 0.68 #QF 0.68 assign (resid 38 and name HA ) (resid 39 and name HN ) 2.51 0.71 0.71 !peak 68 #SUP 0.86 #QF 0.86 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 2.96 1.16 1.16 !peak 69 #SUP 0.74 #QF 0.29 assign (resid 39 and name HN ) (resid 39 and name HG11 ) 2.96 1.16 1.16 !peak 70 #SUP 0.89 #QF 0.89 assign (resid 39 and name HN ) (resid 39 and name HB ) 2.79 0.99 0.99 !peak 71 #SUP 0.91 #QF 0.91 assign (resid 82 and name HN ) (resid 83 and name HN ) 3.48 1.68 1.68 !peak 73 #SUP 0.96 #QF 0.96 assign (resid 81 and name HA ) (resid 82 and name HN ) 2.57 0.77 0.77 !peak 78 #SUP 0.75 #QF 0.75 assign (resid 44 and name HB2 ) (resid 82 and name HN ) 3.01 1.21 1.21 !peak 79 #SUP 0.75 #QF 0.75 assign (resid 45 and name HG12 ) (resid 82 and name HN ) 3.41 1.61 1.61 !peak 83 #SUP 0.98 #QF 0.98 assign (resid 40 and name HN ) (resid 86 and name HD2 ) 3.80 2.00 2.00 !peak 87 #SUP 0.99 #QF 0.99 assign (resid 40 and name HN ) (resid 86 and name HA ) 3.73 1.93 1.93 !peak 88 #SUP 0.97 #QF 0.97 assign (resid 39 and name HA ) (resid 40 and name HN ) 2.62 0.82 0.82 !peak 90 #SUP 0.89 #QF 0.89 assign (resid 40 and name HN ) (resid 86 and name HB2 ) 3.01 1.21 1.21 !peak 93 #SUP 0.78 #QF 0.78 assign (resid 40 and name HN ) (resid 40 and name HG2* ) 2.62 0.83 0.83 !peak 94 #SUP 0.93 #QF 0.92 assign (resid 39 and name HG2* ) (resid 40 and name HN ) 2.64 0.84 0.84 !peak 95 #SUP 0.95 #QF 0.95 assign (resid 45 and name HA ) (resid 46 and name HN ) 2.62 0.82 0.82 !peak 100 #SUP 0.91 #QF 0.91 assign (resid 46 and name HN ) (resid 46 and name HA ) 2.52 0.72 0.72 !peak 101 #SUP 0.95 #QF 0.95 assign (resid 46 and name HN ) (resid 46 and name HB1 ) 3.26 1.46 1.46 !peak 103 #SUP 0.99 #QF 0.99 assign (resid 46 and name HN ) (resid 46 and name HB2 ) 3.26 1.46 1.46 !peak 104 #SUP 0.94 #QF 0.94 assign (resid 46 and name HN ) (resid 80 and name HG1 ) 3.74 1.94 1.94 !peak 105 #SUP 0.88 #QF 0.88 assign (resid 46 and name HN ) (resid 80 and name HG2 ) 3.74 1.94 1.94 !peak 106 #SUP 0.96 #QF 0.96 assign (resid 53 and name HN ) (resid 53 and name HD2 ) 4.35 2.55 2.55 !peak 113 #SUP 0.85 #QF 0.68 assign (resid 53 and name HN ) (resid 53 and name HD1 ) 4.35 2.55 2.55 !peak 113 #SUP 0.85 #QF 0.68 assign (resid 53 and name HN ) (resid 53 and name HB2 ) 2.72 0.92 0.92 !peak 114 #SUP 0.52 #QF 0.52 assign (resid 52 and name HG2* ) (resid 53 and name HN ) 2.74 0.94 0.94 !peak 117 #SUP 0.91 #QF 0.91 assign (resid 41 and name HN ) (resid 42 and name HN ) 3.48 1.68 1.68 !peak 119 #SUP 0.75 #QF 0.75 assign (resid 42 and name HN ) (resid 84 and name HN ) 2.91 1.11 1.11 !peak 120 #SUP 0.91 #QF 0.91 assign (resid 42 and name HN ) (resid 43 and name HN ) 3.53 1.73 1.73 !peak 121 #SUP 0.98 #QF 0.98 assign (resid 42 and name HN ) (resid 86 and name HD2 ) 3.61 1.81 1.81 !peak 122 #SUP 0.61 #QF 0.61 assign (resid 42 and name HN ) (resid 84 and name HA ) 3.89 2.09 2.09 !peak 123 #SUP 0.99 #QF 0.99 assign (resid 41 and name HA ) (resid 42 and name HN ) 2.47 0.67 0.67 !peak 125 #SUP 0.81 #QF 0.81 assign (resid 42 and name HN ) (resid 84 and name HB1 ) 3.87 2.07 2.07 !peak 126 #SUP 0.98 #QF 0.98 assign (resid 42 and name HN ) (resid 42 and name HB2 ) 2.75 0.95 0.95 !peak 127 #SUP 0.87 #QF 0.87 assign (resid 42 and name HN ) (resid 42 and name HB1 ) 2.75 0.95 0.95 !peak 128 #SUP 0.83 #QF 0.83 assign (resid 42 and name HN ) (resid 52 and name HD1* ) 4.11 2.31 2.31 !peak 131 #SUP 0.98 #QF 0.98 assign (resid 83 and name HN ) (resid 94 and name HN ) 3.32 1.52 1.51 !peak 132 #SUP 0.80 #QF 0.80 assign (resid 83 and name HN ) (resid 94 and name HD2 ) 3.71 1.91 1.91 !peak 136 #SUP 0.98 #QF 0.98 assign (resid 83 and name HN ) (resid 84 and name HA ) 3.88 2.08 2.08 !peak 137 #SUP 0.86 #QF 0.86 assign (resid 82 and name HA ) (resid 83 and name HN ) 2.60 0.80 0.80 !peak 138 #SUP 0.77 #QF 0.77 assign (resid 43 and name HA ) (resid 83 and name HN ) 4.29 2.49 2.49 !peak 139 #SUP 0.64 #QF 0.64 assign (resid 83 and name HN ) (resid 94 and name HB1 ) 3.37 1.57 1.57 !peak 140 #SUP 0.93 #QF 0.93 assign (resid 83 and name HN ) (resid 94 and name HB2 ) 3.32 1.52 1.51 !peak 141 #SUP 0.67 #QF 0.67 assign (resid 82 and name HG1 ) (resid 83 and name HN ) 3.11 1.31 1.31 !peak 142 #SUP 0.82 #QF 0.82 assign (resid 82 and name HG2 ) (resid 83 and name HN ) 3.11 1.31 1.31 !peak 143 #SUP 0.94 #QF 0.48 assign (resid 83 and name HN ) (resid 83 and name HB ) 2.98 1.18 1.18 !peak 143 #SUP 0.94 #QF 0.48 assign (resid 44 and name HN ) (resid 50 and name HN ) 3.86 2.06 2.06 !peak 147 #SUP 0.97 #QF 0.97 assign (resid 45 and name HN ) (resid 50 and name HN ) 4.10 2.30 2.30 !peak 151 #SUP 1.00 assign (resid 44 and name HD2 ) (resid 50 and name HN ) 3.75 1.95 1.95 !peak 152 #SUP 0.69 #QF 0.69 assign (resid 44 and name HA ) (resid 50 and name HN ) 3.30 1.50 1.50 !peak 153 #SUP 0.94 #QF 0.94 assign (resid 42 and name HA ) (resid 50 and name HN ) 3.49 1.69 1.69 !peak 154 #SUP 0.87 #QF 0.87 assign (resid 49 and name HA ) (resid 50 and name HN ) 2.44 0.64 0.64 !peak 155 #SUP 0.71 #QF 0.71 assign (resid 43 and name HA ) (resid 50 and name HN ) 3.67 1.87 1.87 !peak 156 #SUP 0.60 #QF 0.60 assign (resid 50 and name HN ) (resid 50 and name HB2 ) 2.69 0.89 0.89 !peak 158 #SUP 0.90 #QF 0.73 assign (resid 50 and name HN ) (resid 50 and name HB1 ) 2.87 1.07 1.07 !peak 158 #SUP 0.90 #QF 0.73 assign (resid 43 and name HB ) (resid 50 and name HN ) 2.93 1.13 1.13 !peak 160 #SUP 0.90 #QF 0.90 assign (resid 49 and name HB1 ) (resid 50 and name HN ) 3.47 1.67 1.67 !peak 161 #SUP 0.99 #QF 0.99 assign (resid 49 and name HB2 ) (resid 50 and name HN ) 3.29 1.49 1.49 !peak 162 #SUP 0.99 #QF 0.99 assign (resid 49 and name HG1 ) (resid 50 and name HN ) 3.30 1.50 1.50 !peak 163 #SUP 0.97 #QF 0.97 assign (resid 86 and name HN ) (resid 87 and name HN ) 3.44 1.64 1.64 !peak 166 #SUP 0.96 #QF 0.96 assign (resid 40 and name HN ) (resid 86 and name HN ) 2.86 1.06 1.06 !peak 167 #SUP 0.93 #QF 0.93 assign (resid 86 and name HN ) (resid 86 and name HD2 ) 3.00 1.20 1.20 !peak 168 #SUP 0.83 #QF 0.83 assign (resid 86 and name HN ) (resid 91 and name HA ) 4.17 2.37 2.37 !peak 170 #SUP 0.96 #QF 0.96 assign (resid 85 and name HA ) (resid 86 and name HN ) 2.57 0.77 0.77 !peak 171 #SUP 0.74 #QF 0.74 assign (resid 39 and name HA ) (resid 86 and name HN ) 3.84 2.04 2.04 !peak 172 #SUP 0.99 #QF 0.99 assign (resid 86 and name HN ) (resid 86 and name HB2 ) 2.77 0.97 0.97 !peak 174 #SUP 0.72 #QF 0.72 assign (resid 85 and name HB ) (resid 86 and name HN ) 3.30 1.50 1.50 !peak 175 #SUP 0.87 #QF 0.87 assign (resid 40 and name HB ) (resid 86 and name HN ) 2.95 1.15 1.15 !peak 176 #SUP 0.77 #QF 0.77 assign (resid 39 and name HG2* ) (resid 86 and name HN ) 3.04 1.24 1.24 !peak 178 #SUP 0.91 #QF 0.91 assign (resid 94 and name HN ) (resid 94 and name HD2 ) 3.52 1.72 1.72 !peak 181 #SUP 0.84 #QF 0.69 assign (resid 93 and name HG2* ) (resid 94 and name HN ) 3.50 1.70 1.70 !peak 183 #SUP 0.99 #QF 0.99 assign (resid 83 and name HN ) (resid 84 and name HN ) 3.59 1.79 1.79 !peak 186 #SUP 0.67 #QF 0.67 assign (resid 84 and name HN ) (resid 84 and name HD21 ) 3.69 1.89 1.89 !peak 187 #SUP 0.99 #QF 0.99 assign (resid 83 and name HA ) (resid 84 and name HN ) 2.68 0.88 0.88 !peak 189 #SUP 0.92 #QF 0.92 assign (resid 43 and name HA ) (resid 84 and name HN ) 3.55 1.75 1.74 !peak 190 #SUP 0.81 #QF 0.81 assign (resid 84 and name HN ) (resid 84 and name HB1 ) 3.22 1.42 1.42 !peak 191 #SUP 0.99 #QF 0.99 assign (resid 84 and name HN ) (resid 84 and name HB2 ) 3.22 1.42 1.42 !peak 192 #SUP 0.82 #QF 0.43 assign (resid 43 and name HN ) (resid 44 and name HN ) 3.33 1.53 1.53 !peak 196 #SUP 0.93 #QF 0.93 assign (resid 43 and name HN ) (resid 50 and name HN ) 2.81 1.01 1.01 !peak 199 #SUP 0.96 #QF 0.96 assign (resid 43 and name HN ) (resid 51 and name HN ) 4.09 2.29 2.29 !peak 200 #SUP 0.76 #QF 0.76 assign (resid 43 and name HN ) (resid 44 and name HD2 ) 3.73 1.93 1.93 !peak 201 #SUP 0.73 #QF 0.73 assign (resid 42 and name HA ) (resid 43 and name HN ) 2.41 0.61 0.61 !peak 202 #SUP 0.84 #QF 0.84 assign (resid 43 and name HN ) (resid 49 and name HA ) 3.67 1.87 1.87 !peak 203 #SUP 0.89 #QF 0.79 assign (resid 43 and name HN ) (resid 50 and name HA ) 3.96 2.16 2.16 !peak 203 #SUP 0.89 #QF 0.79 assign (resid 43 and name HN ) (resid 50 and name HB1 ) 3.05 1.25 1.25 !peak 205 #SUP 0.98 #QF 0.71 assign (resid 43 and name HN ) (resid 43 and name HB ) 2.60 0.80 0.80 !peak 207 #SUP 0.84 #QF 0.84 assign (resid 43 and name HN ) (resid 43 and name HG2* ) 2.77 0.97 0.97 !peak 208 #SUP 0.89 #QF 0.89 assign (resid 43 and name HN ) (resid 52 and name HD1* ) 3.77 1.97 1.97 !peak 209 #SUP 0.92 #QF 0.92 assign (resid 48 and name HN ) (resid 49 and name HN ) 3.59 1.79 1.79 !peak 211 #SUP 0.83 #QF 0.83 assign (resid 48 and name HA ) (resid 49 and name HN ) 2.48 0.68 0.68 !peak 213 #SUP 0.69 #QF 0.69 assign (resid 49 and name HN ) (resid 49 and name HD2 ) 4.06 2.26 2.26 !peak 214 #SUP 0.86 #QF 0.64 assign (resid 49 and name HN ) (resid 49 and name HD1 ) 4.06 2.26 2.26 !peak 214 #SUP 0.86 #QF 0.64 assign (resid 48 and name HG2 ) (resid 49 and name HN ) 3.47 1.67 1.67 !peak 215 #SUP 0.97 #QF 0.97 assign (resid 48 and name HB1 ) (resid 49 and name HN ) 2.96 1.16 1.16 !peak 216 #SUP 0.90 #QF 0.90 assign (resid 49 and name HN ) (resid 49 and name HB1 ) 2.76 0.96 0.96 !peak 217 #SUP 0.89 #QF 0.89 assign (resid 49 and name HN ) (resid 49 and name HB2 ) 3.17 1.37 1.37 !peak 218 #SUP 0.96 #QF 0.96 assign (resid 51 and name HN ) (resid 52 and name HN ) 3.36 1.56 1.56 !peak 221 #SUP 0.94 #QF 0.94 assign (resid 54 and name HN ) (resid 55 and name HN ) 3.52 1.72 1.72 !peak 222 #SUP 0.96 #QF 0.96 assign (resid 50 and name HA ) (resid 51 and name HN ) 2.48 0.68 0.68 !peak 225 #SUP 0.64 #QF 0.64 assign (resid 54 and name HA ) (resid 55 and name HN ) 2.54 0.74 0.74 !peak 226 #SUP 0.73 #QF 0.73 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 3.46 1.66 1.66 !peak 229 #SUP 0.95 #QF 0.60 assign (resid 54 and name HB ) (resid 55 and name HN ) 3.39 1.59 1.59 !peak 230 #SUP 0.81 #QF 0.81 assign (resid 55 and name HN ) (resid 55 and name HB1 ) 3.16 1.36 1.36 !peak 232 #SUP 0.87 #QF 0.87 assign (resid 55 and name HN ) (resid 55 and name HG1 ) 2.93 1.13 1.13 !peak 233 #SUP 0.34 #QF 0.34 assign (resid 51 and name HN ) (resid 52 and name HG12 ) 3.50 1.70 1.70 !peak 234 #SUP 0.85 #QF 0.85 assign (resid 49 and name HG1 ) (resid 51 and name HN ) 4.31 2.51 2.51 !peak 235 #SUP 0.72 #QF 0.72 assign (resid 49 and name HG2 ) (resid 51 and name HN ) 4.35 2.55 2.55 !peak 236 #SUP 0.61 #QF 0.61 assign (resid 51 and name HN ) (resid 52 and name HG11 ) 3.50 1.70 1.70 !peak 237 #SUP 0.74 #QF 0.74 assign (resid 54 and name HG1* ) (resid 55 and name HN ) 3.39 1.59 1.59 !peak 238 #SUP 0.92 #QF 0.92 assign (resid 84 and name HN ) (resid 85 and name HN ) 3.54 1.74 1.74 !peak 240 #SUP 1.00 assign (resid 85 and name HN ) (resid 92 and name HE3 ) 3.67 1.87 1.87 !peak 241 #SUP 0.95 #QF 0.95 assign (resid 85 and name HN ) (resid 94 and name HD2 ) 3.71 1.91 1.91 !peak 243 #SUP 0.53 #QF 0.53 assign (resid 84 and name HA ) (resid 85 and name HN ) 2.64 0.84 0.84 !peak 245 #SUP 0.93 #QF 0.93 assign (resid 85 and name HN ) (resid 91 and name HA ) 3.82 2.02 2.02 !peak 246 #SUP 0.74 #QF 0.74 assign (resid 85 and name HN ) (resid 93 and name HA ) 3.47 1.67 1.67 !peak 247 #SUP 0.69 #QF 0.69 assign (resid 85 and name HN ) (resid 92 and name HB2 ) 3.65 1.85 1.85 !peak 249 #SUP 0.98 #QF 0.98 assign (resid 85 and name HN ) (resid 92 and name HB1 ) 3.67 1.87 1.87 !peak 250 #SUP 0.95 #QF 0.95 assign (resid 85 and name HN ) (resid 93 and name HG2* ) 3.87 2.07 2.07 !peak 252 #SUP 0.99 #QF 0.99 assign (resid 39 and name HG2* ) (resid 85 and name HN ) 4.35 2.55 2.55 !peak 254 #SUP 0.70 #QF 0.70 assign (resid 45 and name HN ) (resid 46 and name HN ) 3.37 1.57 1.57 !peak 256 #SUP 0.99 #QF 0.99 assign (resid 44 and name HN ) (resid 45 and name HN ) 3.49 1.69 1.69 !peak 257 #SUP 1.00 assign (resid 45 and name HN ) (resid 49 and name HN ) 4.01 2.21 2.21 !peak 259 #SUP 0.93 #QF 0.80 assign (resid 81 and name HN ) (resid 82 and name HN ) 3.49 1.69 1.69 !peak 260 #SUP 0.49 #QF 0.49 assign (resid 44 and name HA ) (resid 45 and name HN ) 2.45 0.65 0.65 !peak 264 #SUP 0.90 #QF 0.90 assign (resid 45 and name HN ) (resid 49 and name HA ) 3.22 1.42 1.42 !peak 265 #SUP 0.79 #QF 0.79 assign (resid 44 and name HB1 ) (resid 45 and name HN ) 3.08 1.28 1.28 !peak 267 #SUP 0.93 #QF 0.93 assign (resid 45 and name HN ) (resid 48 and name HB2 ) 3.16 1.36 1.36 !peak 270 #SUP 0.83 #QF 0.83 assign (resid 81 and name HN ) (resid 81 and name HB ) 3.24 1.44 1.44 !peak 271 #SUP 0.99 #QF 0.99 assign (resid 45 and name HN ) (resid 45 and name HB ) 2.81 1.01 1.01 !peak 272 #SUP 0.96 #QF 0.96 assign (resid 45 and name HN ) (resid 45 and name HG11 ) 3.06 1.26 1.26 !peak 273 #SUP 0.83 #QF 0.83 assign (resid 45 and name HN ) (resid 45 and name HG12 ) 3.50 1.70 1.70 !peak 274 #SUP 0.99 #QF 0.99 assign (resid 46 and name HN ) (resid 80 and name HN ) 3.80 2.00 2.00 !peak 276 #SUP 0.98 #QF 0.98 assign (resid 65 and name HN ) (resid 67 and name HN ) 3.53 1.73 1.73 !peak 283 #SUP 0.76 #QF 0.76 assign (resid 63 and name HN ) (resid 65 and name HN ) 3.61 1.81 1.81 !peak 284 #SUP 0.87 #QF 0.87 assign (resid 62 and name HA ) (resid 65 and name HN ) 2.95 1.15 1.15 !peak 287 #SUP 0.74 #QF 0.74 assign (resid 65 and name HN ) (resid 65 and name HB1 ) 3.02 1.22 1.22 !peak 288 #SUP 0.82 #QF 0.82 assign (resid 64 and name HB2 ) (resid 65 and name HN ) 2.59 0.79 0.79 !peak 289 #SUP 0.50 #QF 0.50 assign (resid 65 and name HN ) (resid 65 and name HB2 ) 2.60 0.80 0.80 !peak 290 #SUP 0.90 #QF 0.90 assign (resid 65 and name HN ) (resid 65 and name HD1* ) 3.06 1.26 1.26 !peak 291 #SUP 0.87 #QF 0.87 assign (resid 65 and name HN ) (resid 65 and name HD2* ) 3.06 1.26 1.26 !peak 293 #SUP 0.93 #QF 0.93 assign (resid 81 and name HN ) (resid 96 and name HN ) 3.90 2.10 2.10 !peak 295 #SUP 0.82 #QF 0.82 assign (resid 81 and name HA ) (resid 96 and name HN ) 4.21 2.41 2.41 !peak 298 #SUP 0.61 #QF 0.61 assign (resid 95 and name HB2 ) (resid 96 and name HN ) 3.60 1.80 1.80 !peak 299 #SUP 0.98 #QF 0.98 assign (resid 95 and name HB1 ) (resid 96 and name HN ) 3.60 1.80 1.80 !peak 300 #SUP 0.96 #QF 0.96 assign (resid 96 and name HN ) (resid 96 and name HG2 ) 4.17 2.37 2.37 !peak 301 #SUP 0.98 #QF 0.84 assign (resid 96 and name HN ) (resid 96 and name HG1 ) 4.17 2.37 2.37 !peak 301 #SUP 0.98 #QF 0.84 assign (resid 41 and name HN ) (resid 54 and name HN ) 3.69 1.89 1.89 !peak 305 #SUP 0.98 #QF 0.98 assign (resid 39 and name HN ) (resid 54 and name HN ) 2.94 1.14 1.14 !peak 307 #SUP 0.90 #QF 0.90 assign (resid 53 and name HA ) (resid 54 and name HN ) 2.49 0.69 0.69 !peak 309 #SUP 0.91 #QF 0.91 assign (resid 40 and name HA ) (resid 54 and name HN ) 3.07 1.27 1.27 !peak 310 #SUP 0.79 #QF 0.79 assign (resid 38 and name HA ) (resid 54 and name HN ) 3.97 2.17 2.17 !peak 313 #SUP 1.00 #QF 0.90 assign (resid 54 and name HN ) (resid 55 and name HA ) 4.23 2.43 2.43 !peak 313 #SUP 1.00 #QF 0.90 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 2.98 1.18 1.18 !peak 316 #SUP 0.77 #QF 0.77 assign (resid 39 and name HB ) (resid 54 and name HN ) 3.23 1.43 1.43 !peak 317 #SUP 0.84 #QF 0.84 assign (resid 40 and name HG2* ) (resid 54 and name HN ) 3.22 1.42 1.42 !peak 319 #SUP 0.98 #QF 0.98 assign (resid 54 and name HN ) (resid 54 and name HG2* ) 3.16 1.36 1.36 !peak 320 #SUP 0.91 #QF 0.91 assign (resid 39 and name HD1* ) (resid 54 and name HN ) 4.09 2.29 2.29 !peak 321 #SUP 0.71 #QF 0.71 assign (resid 79 and name HA ) (resid 80 and name HN ) 2.86 1.06 1.06 !peak 325 #SUP 1.00 #QF 0.41 assign (resid 46 and name HN ) (resid 48 and name HN ) 3.46 1.66 1.66 !peak 330 #SUP 0.84 #QF 0.84 assign (resid 47 and name HN ) (resid 48 and name HN ) 2.72 0.92 0.92 !peak 331 #SUP 0.84 #QF 0.84 assign (resid 45 and name HN ) (resid 48 and name HN ) 2.96 1.16 1.16 !peak 333 #SUP 0.86 #QF 0.86 assign (resid 44 and name HA ) (resid 48 and name HN ) 3.94 2.14 2.14 !peak 338 #SUP 0.79 #QF 0.79 assign (resid 46 and name HA ) (resid 48 and name HN ) 3.49 1.69 1.69 !peak 340 #SUP 0.92 #QF 0.92 assign (resid 58 and name HB2 ) (resid 62 and name HN ) 3.70 1.90 1.90 !peak 341 #SUP 0.73 #QF 0.73 assign (resid 46 and name HB1 ) (resid 48 and name HN ) 3.38 1.58 1.58 !peak 345 #SUP 0.88 #QF 0.88 assign (resid 46 and name HB2 ) (resid 48 and name HN ) 3.38 1.58 1.58 !peak 346 #SUP 0.72 #QF 0.72 assign (resid 48 and name HN ) (resid 48 and name HG2 ) 2.88 1.08 1.08 !peak 347 #SUP 0.82 #QF 0.82 assign (resid 48 and name HN ) (resid 48 and name HB2 ) 2.48 0.68 0.68 !peak 348 #SUP 0.68 #QF 0.68 assign (resid 45 and name HG2* ) (resid 48 and name HN ) 3.50 1.70 1.70 !peak 349 #SUP 0.91 #QF 0.91 assign (resid 38 and name HN ) (resid 39 and name HN ) 3.54 1.74 1.74 !peak 350 #SUP 0.98 #QF 0.98 assign (resid 37 and name HN ) (resid 38 and name HN ) 3.57 1.77 1.77 !peak 352 #SUP 1.00 assign (resid 38 and name HN ) (resid 87 and name HA ) 3.88 2.08 2.08 !peak 353 #SUP 0.59 #QF 0.59 assign (resid 37 and name HA ) (resid 38 and name HN ) 2.46 0.66 0.66 !peak 354 #SUP 0.86 #QF 0.86 assign (resid 38 and name HN ) (resid 38 and name HG2 ) 3.00 1.20 1.20 !peak 357 #SUP 0.75 #QF 0.75 assign (resid 38 and name HN ) (resid 38 and name HB1 ) 2.46 0.66 0.66 !peak 358 #SUP 0.85 #QF 0.85 assign (resid 38 and name HN ) (resid 39 and name HG11 ) 3.64 1.84 1.84 !peak 359 #SUP 0.78 #QF 0.78 assign (resid 38 and name HN ) (resid 55 and name HG2 ) 3.97 2.17 2.17 !peak 360 #SUP 0.80 #QF 0.73 assign (resid 38 and name HN ) (resid 55 and name HG1 ) 4.35 2.55 2.55 !peak 360 #SUP 0.80 #QF 0.73 assign (resid 37 and name HG2* ) (resid 38 and name HN ) 2.83 1.03 1.03 !peak 361 #SUP 0.96 #QF 0.96 assign (resid 38 and name HN ) (resid 39 and name HG12 ) 4.33 2.53 2.53 !peak 362 #SUP 0.87 #QF 0.87 assign (resid 25 and name HA ) (resid 28 and name HN ) 3.26 1.46 1.46 !peak 370 #SUP 0.71 #QF 0.71 assign (resid 27 and name HG2 ) (resid 28 and name HN ) 4.03 2.23 2.23 !peak 371 #SUP 0.91 #QF 0.91 assign (resid 27 and name HG1 ) (resid 28 and name HN ) 4.03 2.23 2.23 !peak 372 #SUP 0.98 #QF 0.98 assign (resid 27 and name HB2 ) (resid 28 and name HN ) 2.90 1.10 1.10 !peak 373 #SUP 0.92 #QF 0.92 assign (resid 28 and name HN ) (resid 28 and name HB2 ) 2.94 1.14 1.14 !peak 374 #SUP 0.91 #QF 0.91 assign (resid 28 and name HN ) (resid 28 and name HB1 ) 2.94 1.14 1.14 !peak 375 #SUP 0.99 #QF 0.99 assign (resid 28 and name HN ) (resid 28 and name HG ) 3.58 1.78 1.78 !peak 376 #SUP 0.97 #QF 0.97 assign (resid 28 and name HN ) (resid 28 and name HD2* ) 3.45 1.65 1.65 !peak 377 #SUP 1.00 assign (resid 28 and name HN ) (resid 28 and name HD1* ) 3.45 1.65 1.65 !peak 378 #SUP 1.00 assign (resid 87 and name HN ) (resid 90 and name HN ) 2.88 1.08 1.08 !peak 379 #SUP 0.76 #QF 0.76 assign (resid 89 and name HN ) (resid 90 and name HN ) 3.26 1.46 1.46 !peak 380 #SUP 0.73 #QF 0.73 assign (resid 90 and name HN ) (resid 92 and name HZ2 ) 4.31 2.51 2.51 !peak 383 #SUP 0.82 #QF 0.82 assign (resid 86 and name HA ) (resid 90 and name HN ) 3.86 2.06 2.06 !peak 385 #SUP 0.67 #QF 0.67 assign (resid 23 and name HN ) (resid 23 and name HB1 ) 2.61 0.81 0.81 !peak 393 #SUP 0.80 #QF 0.80 assign (resid 22 and name HB2 ) (resid 23 and name HN ) 2.80 1.00 1.00 !peak 394 #SUP 0.85 #QF 0.43 assign (resid 90 and name HN ) (resid 90 and name HB2 ) 2.89 1.09 1.09 !peak 394 #SUP 0.85 #QF 0.43 assign (resid 22 and name HB1 ) (resid 23 and name HN ) 3.08 1.28 1.28 !peak 396 #SUP 0.91 #QF 0.91 assign (resid 90 and name HN ) (resid 90 and name HB1 ) 2.94 1.14 1.14 !peak 397 #SUP 0.69 #QF 0.69 assign (resid 22 and name HD1* ) (resid 23 and name HN ) 3.63 1.83 1.83 !peak 398 #SUP 0.95 #QF 0.95 assign (resid 94 and name HA ) (resid 95 and name HN ) 2.77 0.97 0.97 !peak 401 #SUP 0.72 #QF 0.72 assign (resid 67 and name HN ) (resid 68 and name HN ) 2.69 0.89 0.89 !peak 404 #SUP 0.98 #QF 0.98 assign (resid 65 and name HA ) (resid 68 and name HN ) 3.14 1.34 1.34 !peak 406 #SUP 0.87 #QF 0.55 assign (resid 68 and name HN ) (resid 68 and name HD1 ) 3.76 1.96 1.96 !peak 407 #SUP 0.57 #QF 0.57 assign (resid 67 and name HG1 ) (resid 68 and name HN ) 3.86 2.06 2.06 !peak 409 #SUP 0.89 #QF 0.81 assign (resid 67 and name HG2 ) (resid 68 and name HN ) 3.86 2.06 2.06 !peak 410 #SUP 0.86 #QF 0.86 assign (resid 68 and name HN ) (resid 68 and name HG2 ) 3.15 1.35 1.35 !peak 412 #SUP 0.88 #QF 0.88 assign (resid 69 and name HN ) (resid 72 and name HG2 ) 3.61 1.81 1.81 !peak 413 #SUP 0.51 #QF 0.51 assign (resid 27 and name HA ) (resid 31 and name HN ) 3.72 1.92 1.92 !peak 417 #SUP 0.65 #QF 0.65 assign (resid 31 and name HN ) (resid 32 and name HD1* ) 4.35 2.55 2.55 !peak 420 #SUP 0.91 #QF 0.87 assign (resid 22 and name HA ) (resid 25 and name HN ) 3.80 2.00 2.00 !peak 427 #SUP 0.85 #QF 0.85 assign (resid 62 and name HN ) (resid 63 and name HN ) 2.80 1.00 1.00 !peak 432 #SUP 0.85 #QF 0.85 assign (resid 63 and name HN ) (resid 64 and name HN ) 2.63 0.83 0.83 !peak 434 #SUP 0.93 #QF 0.93 assign (resid 63 and name HN ) (resid 63 and name HA ) 2.55 0.75 0.75 !peak 435 #SUP 0.95 #QF 0.95 assign (resid 59 and name HA ) (resid 63 and name HN ) 3.84 2.04 2.04 !peak 436 #SUP 0.97 #QF 0.97 assign (resid 62 and name HB1 ) (resid 63 and name HN ) 3.19 1.39 1.39 !peak 439 #SUP 0.99 #QF 0.99 assign (resid 62 and name HD1* ) (resid 63 and name HN ) 3.36 1.56 1.56 !peak 443 #SUP 0.97 #QF 0.97 assign (resid 62 and name HD2* ) (resid 63 and name HN ) 3.36 1.56 1.56 !peak 444 #SUP 0.99 #QF 0.99 assign (resid 70 and name HN ) (resid 71 and name HN ) 2.63 0.83 0.83 !peak 446 #SUP 0.54 #QF 0.54 assign (resid 70 and name HN ) (resid 73 and name HN ) 3.84 2.04 2.04 !peak 447 #SUP 0.96 #QF 0.96 assign (resid 33 and name HN ) (resid 34 and name HN ) 2.83 1.03 1.03 !peak 448 #SUP 0.89 #QF 0.89 assign (resid 67 and name HA ) (resid 70 and name HN ) 3.21 1.41 1.41 !peak 452 #SUP 0.99 #QF 0.61 assign (resid 33 and name HN ) (resid 33 and name HB1 ) 2.68 0.88 0.88 !peak 455 #SUP 0.93 #QF 0.71 assign (resid 33 and name HN ) (resid 33 and name HB2 ) 2.84 1.04 1.04 !peak 455 #SUP 0.93 #QF 0.71 assign (resid 70 and name HN ) (resid 70 and name HD2 ) 4.35 2.55 2.55 !peak 456 #SUP 0.74 #QF 0.30 assign (resid 70 and name HN ) (resid 71 and name HG1 ) 3.98 2.18 2.18 !peak 457 #SUP 0.94 #QF 0.94 assign (resid 69 and name HB ) (resid 70 and name HN ) 2.50 0.70 0.70 !peak 460 #SUP 0.73 #QF 0.73 assign (resid 70 and name HN ) (resid 70 and name HG2 ) 3.30 1.50 1.50 !peak 461 #SUP 0.77 #QF 0.66 assign (resid 70 and name HN ) (resid 70 and name HG1 ) 3.30 1.50 1.50 !peak 461 #SUP 0.77 #QF 0.66 assign (resid 18 and name HG2* ) (resid 70 and name HN ) 3.77 1.97 1.97 !peak 462 #SUP 1.00 assign (resid 70 and name HN ) (resid 73 and name HG11 ) 4.02 2.22 2.22 !peak 463 #SUP 0.97 #QF 0.97 assign (resid 22 and name HD1* ) (resid 70 and name HN ) 3.22 1.42 1.42 !peak 464 #SUP 0.95 #QF 0.93 assign (resid 22 and name HD2* ) (resid 70 and name HN ) 2.62 0.82 0.82 !peak 465 #SUP 0.82 #QF 0.82 assign (resid 33 and name HN ) (resid 39 and name HD1* ) 3.47 1.67 1.67 !peak 466 #SUP 0.94 #QF 0.94 assign (resid 69 and name HN ) (resid 70 and name HN ) 2.79 0.99 0.99 !peak 467 #SUP 0.82 #QF 0.82 assign (resid 25 and name HN ) (resid 26 and name HN ) 3.49 1.69 1.69 !peak 468 #SUP 0.38 #QF 0.38 assign (resid 69 and name HN ) (resid 72 and name HN ) 3.94 2.14 2.14 !peak 469 #SUP 0.73 #QF 0.73 assign (resid 69 and name HN ) (resid 69 and name HB ) 2.56 0.76 0.76 !peak 472 #SUP 0.60 #QF 0.60 assign (resid 69 and name HN ) (resid 69 and name HD1* ) 2.91 1.11 1.11 !peak 473 #SUP 0.89 #QF 0.89 assign (resid 26 and name HN ) (resid 27 and name HN ) 2.70 0.90 0.90 !peak 482 #SUP 0.97 #QF 0.97 assign (resid 26 and name HN ) (resid 28 and name HN ) 3.53 1.73 1.73 !peak 483 #SUP 0.95 #QF 0.95 assign (resid 26 and name HN ) (resid 29 and name HE1 ) 4.07 2.27 2.27 !peak 484 #SUP 0.79 #QF 0.79 assign (resid 23 and name HA ) (resid 26 and name HN ) 2.91 1.11 1.11 !peak 485 #SUP 0.97 #QF 0.97 assign (resid 22 and name HA ) (resid 26 and name HN ) 3.87 2.07 2.07 !peak 486 #SUP 0.91 #QF 0.91 assign (resid 26 and name HN ) (resid 26 and name HB2 ) 2.79 0.99 0.99 !peak 489 #SUP 0.92 #QF 0.92 assign (resid 26 and name HN ) (resid 26 and name HB1 ) 2.79 0.99 0.99 !peak 490 #SUP 0.94 #QF 0.94 assign (resid 26 and name HN ) (resid 66 and name HD2* ) 3.18 1.38 1.38 !peak 493 #SUP 0.95 #QF 0.95 assign (resid 26 and name HN ) (resid 66 and name HD1* ) 3.18 1.38 1.38 !peak 494 #SUP 0.88 #QF 0.88 assign (resid 25 and name HD2* ) (resid 26 and name HN ) 3.73 1.93 1.93 !peak 495 #SUP 0.49 #QF 0.49 assign (resid 25 and name HD1* ) (resid 26 and name HN ) 3.73 1.93 1.93 !peak 496 #SUP 0.54 #QF 0.54 assign (resid 24 and name HN ) (resid 26 and name HN ) 3.52 1.72 1.72 !peak 498 #SUP 0.74 #QF 0.74 assign (resid 22 and name HN ) (resid 24 and name HN ) 3.55 1.75 1.74 !peak 499 #SUP 0.61 #QF 0.61 assign (resid 61 and name HN ) (resid 62 and name HN ) 2.79 0.99 0.99 !peak 500 #SUP 0.89 #QF 0.89 assign (resid 58 and name HN ) (resid 61 and name HN ) 3.20 1.40 1.40 !peak 501 #SUP 0.84 #QF 0.84 assign (resid 60 and name HG1 ) (resid 61 and name HN ) 2.91 1.11 1.11 !peak 504 #SUP 0.68 #QF 0.68 assign (resid 60 and name HG2 ) (resid 61 and name HN ) 2.91 1.11 1.11 !peak 505 #SUP 0.76 #QF 0.76 assign (resid 69 and name HN ) (resid 72 and name HE* ) 4.22 2.42 2.42 !peak 509 #SUP 0.35 #QF 0.35 assign (resid 60 and name HN ) (resid 62 and name HN ) 3.72 1.92 1.92 !peak 512 #SUP 0.55 #QF 0.55 assign (resid 60 and name HN ) (resid 61 and name HN ) 2.90 1.10 1.10 !peak 513 #SUP 0.97 #QF 0.97 assign (resid 60 and name HN ) (resid 63 and name HN ) 3.89 2.09 2.09 !peak 514 #SUP 0.79 #QF 0.79 assign (resid 58 and name HA ) (resid 60 and name HN ) 3.44 1.64 1.64 !peak 515 #SUP 0.69 #QF 0.69 assign (resid 58 and name HB2 ) (resid 60 and name HN ) 3.14 1.34 1.34 !peak 516 #SUP 0.83 #QF 0.83 assign (resid 58 and name HB1 ) (resid 60 and name HN ) 2.88 1.08 1.08 !peak 517 #SUP 0.98 #QF 0.73 assign (resid 60 and name HN ) (resid 60 and name HG1 ) 3.15 1.35 1.35 !peak 519 #SUP 0.81 #QF 0.81 assign (resid 60 and name HN ) (resid 60 and name HG2 ) 3.15 1.35 1.35 !peak 520 #SUP 0.97 #QF 0.97 assign (resid 60 and name HN ) (resid 60 and name HB1 ) 3.07 1.27 1.27 !peak 521 #SUP 0.97 #QF 0.97 assign (resid 60 and name HN ) (resid 60 and name HB2 ) 3.07 1.27 1.27 !peak 522 #SUP 0.95 #QF 0.95 assign (resid 59 and name HB2 ) (resid 60 and name HN ) 3.67 1.87 1.87 !peak 523 #SUP 1.00 #QF 0.94 assign (resid 59 and name HB1 ) (resid 60 and name HN ) 3.67 1.87 1.87 !peak 523 #SUP 1.00 #QF 0.94 assign (resid 59 and name HD2 ) (resid 60 and name HN ) 3.84 2.04 2.04 !peak 524 #SUP 0.75 #QF 0.62 assign (resid 59 and name HD1 ) (resid 60 and name HN ) 3.84 2.04 2.04 !peak 524 #SUP 0.75 #QF 0.62 assign (resid 59 and name HG1 ) (resid 60 and name HN ) 3.67 1.87 1.87 !peak 525 #SUP 0.98 #QF 0.98 assign (resid 59 and name HG2 ) (resid 60 and name HN ) 3.67 1.87 1.87 !peak 526 #SUP 1.00 assign (resid 74 and name HN ) (resid 75 and name HN ) 2.89 1.09 1.09 !peak 528 #SUP 1.00 assign (resid 75 and name HN ) (resid 76 and name HN ) 2.95 1.15 1.15 !peak 529 #SUP 0.91 #QF 0.91 assign (resid 73 and name HN ) (resid 75 and name HN ) 3.48 1.68 1.68 !peak 530 #SUP 0.78 #QF 0.78 assign (resid 72 and name HN ) (resid 75 and name HN ) 3.68 1.88 1.88 !peak 532 #SUP 0.59 #QF 0.59 assign (resid 73 and name HA ) (resid 75 and name HN ) 3.83 2.03 2.03 !peak 534 #SUP 0.98 #QF 0.98 assign (resid 74 and name HG1 ) (resid 75 and name HN ) 3.78 1.98 1.97 !peak 535 #SUP 0.99 #QF 0.99 assign (resid 74 and name HG2 ) (resid 75 and name HN ) 3.78 1.98 1.97 !peak 536 #SUP 0.89 #QF 0.89 assign (resid 75 and name HN ) (resid 75 and name HG2 ) 3.15 1.35 1.35 !peak 538 #SUP 0.82 #QF 0.26 assign (resid 75 and name HN ) (resid 75 and name HG1 ) 3.15 1.35 1.35 !peak 538 #SUP 0.82 #QF 0.26 assign (resid 55 and name HG2 ) (resid 56 and name HN ) 3.86 2.06 2.06 !peak 547 #SUP 0.87 #QF 0.74 assign (resid 55 and name HG1 ) (resid 56 and name HN ) 4.12 2.32 2.32 !peak 547 #SUP 0.87 #QF 0.74 assign (resid 30 and name HN ) (resid 33 and name HN ) 3.79 1.99 1.99 !peak 551 #SUP 0.89 #QF 0.89 assign (resid 30 and name HN ) (resid 31 and name HN ) 2.81 1.01 1.01 !peak 554 #SUP 0.95 #QF 0.95 assign (resid 29 and name HD2 ) (resid 30 and name HN ) 4.01 2.21 2.21 !peak 555 #SUP 0.85 #QF 0.85 assign (resid 29 and name HB2 ) (resid 30 and name HN ) 3.09 1.29 1.29 !peak 559 #SUP 0.99 #QF 0.99 assign (resid 29 and name HB1 ) (resid 30 and name HN ) 3.25 1.45 1.45 !peak 560 #SUP 1.00 assign (resid 30 and name HN ) (resid 30 and name HB2 ) 2.61 0.81 0.81 !peak 562 #SUP 0.90 #QF 0.90 assign (resid 30 and name HN ) (resid 62 and name HG ) 4.35 2.55 2.55 !peak 563 #SUP 0.80 #QF 0.61 assign (resid 30 and name HN ) (resid 62 and name HD1* ) 3.84 2.04 2.04 !peak 564 #SUP 0.73 #QF 0.73 assign (resid 30 and name HN ) (resid 62 and name HD2* ) 3.84 2.04 2.04 !peak 565 #SUP 0.79 #QF 0.79 assign (resid 74 and name HN ) (resid 77 and name HN ) 3.63 1.83 1.83 !peak 567 #SUP 0.66 #QF 0.29 assign (resid 73 and name HN ) (resid 74 and name HN ) 2.80 1.00 1.00 !peak 568 #SUP 0.99 #QF 0.99 assign (resid 70 and name HA ) (resid 74 and name HN ) 3.42 1.62 1.62 !peak 575 #SUP 0.93 #QF 0.93 assign (resid 74 and name HN ) (resid 74 and name HG1 ) 3.03 1.23 1.23 !peak 576 #SUP 0.98 #QF 0.98 assign (resid 74 and name HN ) (resid 74 and name HG2 ) 3.03 1.23 1.23 !peak 577 #SUP 0.93 #QF 0.93 assign (resid 73 and name HB ) (resid 74 and name HN ) 3.42 1.62 1.62 !peak 579 #SUP 0.91 #QF 0.88 assign (resid 73 and name HG12 ) (resid 74 and name HN ) 3.26 1.46 1.46 !peak 580 #SUP 0.96 #QF 0.96 assign (resid 18 and name HG2* ) (resid 74 and name HN ) 3.87 2.07 2.07 !peak 581 #SUP 0.91 #QF 0.91 assign (resid 73 and name HG11 ) (resid 74 and name HN ) 3.49 1.69 1.69 !peak 582 #SUP 0.98 #QF 0.98 assign (resid 73 and name HG2* ) (resid 74 and name HN ) 3.25 1.45 1.45 !peak 583 #SUP 0.89 #QF 0.89 assign (resid 73 and name HD1* ) (resid 74 and name HN ) 3.32 1.52 1.51 !peak 584 #SUP 0.81 #QF 0.81 assign (resid 87 and name HA ) (resid 88 and name HN ) 2.87 1.07 1.07 !peak 586 #SUP 0.54 #QF 0.54 assign (resid 37 and name HG2* ) (resid 88 and name HN ) 3.38 1.58 1.58 !peak 589 #SUP 0.85 #QF 0.85 assign (resid 79 and name HN ) (resid 80 and name HN ) 2.84 1.04 1.04 !peak 590 #SUP 0.96 #QF 0.96 assign (resid 78 and name HA ) (resid 79 and name HN ) 2.64 0.84 0.84 !peak 592 #SUP 0.67 #QF 0.67 assign (resid 74 and name HN ) (resid 76 and name HN ) 3.44 1.64 1.64 !peak 594 #SUP 0.87 #QF 0.87 assign (resid 76 and name HN ) (resid 76 and name HG2 ) 3.60 1.80 1.80 !peak 601 #SUP 0.88 #QF 0.59 assign (resid 76 and name HN ) (resid 76 and name HG1 ) 3.60 1.80 1.80 !peak 601 #SUP 0.88 #QF 0.59 assign (resid 76 and name HN ) (resid 76 and name HB2 ) 3.11 1.31 1.31 !peak 602 #SUP 0.90 #QF 0.90 assign (resid 75 and name HG2 ) (resid 76 and name HN ) 3.96 2.16 2.16 !peak 603 #SUP 0.96 #QF 0.45 assign (resid 45 and name HG2* ) (resid 76 and name HN ) 3.61 1.81 1.81 !peak 604 #SUP 0.50 #QF 0.50 assign (resid 66 and name HN ) (resid 68 and name HN ) 3.46 1.66 1.66 !peak 605 #SUP 0.82 #QF 0.82 assign (resid 64 and name HN ) (resid 66 and name HN ) 3.86 2.06 2.06 !peak 608 #SUP 0.81 #QF 0.81 assign (resid 29 and name HE1 ) (resid 66 and name HN ) 3.23 1.43 1.43 !peak 609 #SUP 0.80 #QF 0.80 assign (resid 90 and name HA ) (resid 91 and name HN ) 2.56 0.76 0.76 !peak 611 #SUP 0.76 #QF 0.76 assign (resid 65 and name HB2 ) (resid 66 and name HN ) 2.88 1.08 1.08 !peak 619 #SUP 0.77 #QF 0.77 assign (resid 62 and name HN ) (resid 64 and name HN ) 3.59 1.79 1.79 !peak 625 #SUP 0.80 #QF 0.80 assign (resid 64 and name HN ) (resid 65 and name HN ) 2.67 0.87 0.87 !peak 626 #SUP 0.97 #QF 0.97 assign (resid 64 and name HN ) (resid 67 and name HN ) 3.84 2.04 2.04 !peak 627 #SUP 0.94 #QF 0.94 assign (resid 64 and name HN ) (resid 64 and name HA ) 2.56 0.76 0.76 !peak 630 #SUP 0.97 #QF 0.97 assign (resid 64 and name HN ) (resid 64 and name HB2 ) 2.41 0.61 0.61 !peak 633 #SUP 0.75 #QF 0.75 assign (resid 64 and name HN ) (resid 64 and name HG2 ) 2.68 0.88 0.88 !peak 634 #SUP 0.86 #QF 0.86 assign (resid 64 and name HN ) (resid 64 and name HG1 ) 3.13 1.33 1.33 !peak 635 #SUP 0.96 #QF 0.96 assign (resid 64 and name HN ) (resid 65 and name HD1* ) 3.93 2.13 2.13 !peak 636 #SUP 0.84 #QF 0.55 assign (resid 30 and name HN ) (resid 32 and name HN ) 3.52 1.72 1.72 !peak 639 #SUP 0.60 #QF 0.60 assign (resid 31 and name HN ) (resid 32 and name HN ) 2.83 1.03 1.03 !peak 640 #SUP 0.93 #QF 0.93 assign (resid 29 and name HD2 ) (resid 32 and name HN ) 4.21 2.41 2.41 !peak 641 #SUP 0.89 #QF 0.89 assign (resid 29 and name HA ) (resid 32 and name HN ) 3.18 1.38 1.38 !peak 642 #SUP 0.99 #QF 0.93 assign (resid 32 and name HN ) (resid 33 and name HB1 ) 3.98 2.18 2.18 !peak 644 #SUP 0.78 #QF 0.63 assign (resid 32 and name HN ) (resid 33 and name HB2 ) 4.25 2.45 2.45 !peak 644 #SUP 0.78 #QF 0.63 assign (resid 29 and name HB1 ) (resid 32 and name HN ) 4.29 2.49 2.49 !peak 645 #SUP 0.79 #QF 0.79 assign (resid 31 and name HB2 ) (resid 32 and name HN ) 3.36 1.56 1.56 !peak 647 #SUP 0.99 #QF 0.99 assign (resid 31 and name HG1 ) (resid 32 and name HN ) 3.61 1.81 1.81 !peak 647 #SUP 0.99 #QF 0.99 assign (resid 32 and name HN ) (resid 32 and name HG ) 2.72 0.92 0.92 !peak 648 #SUP 0.93 #QF 0.93 assign (resid 32 and name HN ) (resid 32 and name HB1 ) 3.08 1.28 1.28 !peak 649 #SUP 0.92 #QF 0.92 assign (resid 28 and name HG ) (resid 32 and name HN ) 3.64 1.84 1.84 !peak 650 #SUP 0.92 #QF 0.92 assign (resid 32 and name HN ) (resid 32 and name HD2* ) 3.04 1.24 1.24 !peak 652 #SUP 0.85 #QF 0.85 assign (resid 91 and name HN ) (resid 92 and name HB2 ) 4.35 2.55 2.55 !peak 658 #SUP 0.65 #QF 0.65 assign (resid 90 and name HB1 ) (resid 91 and name HN ) 2.88 1.08 1.08 !peak 659 #SUP 0.85 #QF 0.85 assign (resid 57 and name HG11 ) (resid 58 and name HN ) 4.16 2.36 2.36 !peak 660 #SUP 0.78 #QF 0.78 assign (resid 91 and name HN ) (resid 91 and name HG2* ) 3.28 1.48 1.48 !peak 661 #SUP 0.93 #QF 0.93 assign (resid 66 and name HN ) (resid 67 and name HN ) 2.64 0.84 0.84 !peak 663 #SUP 0.89 #QF 0.89 assign (resid 67 and name HN ) (resid 67 and name HG1 ) 3.21 1.41 1.41 !peak 667 #SUP 0.90 #QF 0.90 assign (resid 67 and name HN ) (resid 67 and name HG2 ) 3.21 1.41 1.41 !peak 668 #SUP 0.96 #QF 0.96 assign (resid 67 and name HN ) (resid 67 and name HB1 ) 3.03 1.23 1.23 !peak 669 #SUP 0.89 #QF 0.89 assign (resid 67 and name HN ) (resid 67 and name HB2 ) 3.03 1.23 1.23 !peak 670 #SUP 1.00 assign (resid 66 and name HB1 ) (resid 67 and name HN ) 3.37 1.57 1.57 !peak 672 #SUP 1.00 assign (resid 65 and name HB2 ) (resid 67 and name HN ) 3.99 2.19 2.19 !peak 673 #SUP 0.93 #QF 0.93 assign (resid 66 and name HD2* ) (resid 67 and name HN ) 3.76 1.96 1.96 !peak 674 #SUP 0.94 #QF 0.94 assign (resid 66 and name HD1* ) (resid 67 and name HN ) 3.76 1.96 1.96 !peak 675 #SUP 0.79 #QF 0.70 assign (resid 67 and name HN ) (resid 69 and name HD1* ) 4.17 2.37 2.37 !peak 675 #SUP 0.79 #QF 0.70 assign (resid 29 and name HN ) (resid 30 and name HN ) 2.91 1.11 1.11 !peak 677 #SUP 1.00 assign (resid 28 and name HN ) (resid 29 and name HN ) 2.87 1.07 1.07 !peak 679 #SUP 0.90 #QF 0.90 assign (resid 29 and name HN ) (resid 29 and name HD2 ) 3.15 1.35 1.35 !peak 680 #SUP 0.96 #QF 0.96 assign (resid 27 and name HA ) (resid 29 and name HN ) 3.91 2.11 2.11 !peak 683 #SUP 0.99 #QF 0.99 assign (resid 26 and name HA ) (resid 29 and name HN ) 3.25 1.45 1.45 !peak 684 #SUP 0.98 #QF 0.98 assign (resid 29 and name HN ) (resid 29 and name HB2 ) 2.74 0.94 0.94 !peak 685 #SUP 0.93 #QF 0.93 assign (resid 29 and name HN ) (resid 29 and name HB1 ) 2.99 1.19 1.19 !peak 686 #SUP 0.95 #QF 0.95 assign (resid 27 and name HB2 ) (resid 29 and name HN ) 4.11 2.31 2.31 !peak 689 #SUP 0.93 #QF 0.93 assign (resid 28 and name HB2 ) (resid 29 and name HN ) 3.13 1.33 1.33 !peak 690 #SUP 0.95 #QF 0.95 assign (resid 28 and name HB1 ) (resid 29 and name HN ) 3.13 1.33 1.33 !peak 691 #SUP 0.83 #QF 0.83 assign (resid 28 and name HG ) (resid 29 and name HN ) 3.39 1.59 1.59 !peak 692 #SUP 0.92 #QF 0.92 assign (resid 25 and name HB1 ) (resid 29 and name HN ) 4.35 2.55 2.55 !peak 693 #SUP 0.95 #QF 0.52 assign (resid 29 and name HN ) (resid 39 and name HG2* ) 4.35 2.55 2.55 !peak 693 #SUP 0.95 #QF 0.52 assign (resid 29 and name HN ) (resid 39 and name HD1* ) 4.09 2.29 2.29 !peak 695 #SUP 0.73 #QF 0.27 assign (resid 28 and name HD2* ) (resid 29 and name HN ) 3.44 1.64 1.64 !peak 696 #SUP 0.87 #QF 0.87 assign (resid 28 and name HD1* ) (resid 29 and name HN ) 3.44 1.64 1.64 !peak 697 #SUP 0.93 #QF 0.93 assign (resid 56 and name HN ) (resid 57 and name HN ) 3.42 1.62 1.62 !peak 698 #SUP 0.96 #QF 0.96 assign (resid 56 and name HA ) (resid 57 and name HN ) 2.70 0.90 0.90 !peak 701 #SUP 0.75 #QF 0.75 assign (resid 56 and name HB2 ) (resid 57 and name HN ) 3.66 1.86 1.86 !peak 703 #SUP 0.98 #QF 0.98 assign (resid 56 and name HB1 ) (resid 57 and name HN ) 3.66 1.86 1.86 !peak 704 #SUP 0.97 #QF 0.97 assign (resid 57 and name HN ) (resid 57 and name HG12 ) 3.25 1.45 1.45 !peak 706 #SUP 1.00 assign (resid 57 and name HN ) (resid 57 and name HG11 ) 3.25 1.45 1.45 !peak 707 #SUP 0.99 #QF 0.99 assign (resid 57 and name HN ) (resid 57 and name HG2* ) 3.14 1.34 1.34 !peak 708 #SUP 1.00 assign (resid 22 and name HN ) (resid 23 and name HN ) 2.82 1.02 1.02 !peak 710 #SUP 0.93 #QF 0.93 assign (resid 21 and name HN ) (resid 22 and name HN ) 3.09 1.29 1.29 !peak 711 #SUP 0.91 #QF 0.91 assign (resid 22 and name HN ) (resid 22 and name HB2 ) 2.71 0.91 0.91 !peak 716 #SUP 0.88 #QF 0.88 assign (resid 22 and name HN ) (resid 22 and name HG ) 2.70 0.90 0.90 !peak 717 #SUP 0.95 #QF 0.95 assign (resid 22 and name HN ) (resid 22 and name HB1 ) 3.02 1.22 1.22 !peak 718 #SUP 0.96 #QF 0.96 assign (resid 22 and name HN ) (resid 22 and name HD1* ) 3.21 1.41 1.41 !peak 719 #SUP 0.94 #QF 0.94 assign (resid 22 and name HN ) (resid 22 and name HD2* ) 3.12 1.32 1.32 !peak 720 #SUP 0.96 #QF 0.96 assign (resid 70 and name HN ) (resid 72 and name HN ) 3.65 1.85 1.85 !peak 721 #SUP 0.99 #QF 0.99 assign (resid 72 and name HN ) (resid 74 and name HN ) 3.44 1.64 1.64 !peak 722 #SUP 1.00 assign (resid 72 and name HN ) (resid 73 and name HN ) 2.76 0.96 0.96 !peak 724 #SUP 0.98 #QF 0.98 assign (resid 68 and name HA ) (resid 72 and name HN ) 3.96 2.16 2.16 !peak 726 #SUP 0.94 #QF 0.94 assign (resid 69 and name HA ) (resid 72 and name HN ) 3.16 1.36 1.36 !peak 728 #SUP 0.98 #QF 0.98 assign (resid 71 and name HG1 ) (resid 72 and name HN ) 3.82 2.02 2.02 !peak 729 #SUP 0.94 #QF 0.94 assign (resid 71 and name HB2 ) (resid 72 and name HN ) 3.39 1.59 1.59 !peak 730 #SUP 0.75 #QF 0.75 assign (resid 72 and name HN ) (resid 72 and name HB2 ) 2.64 0.84 0.84 !peak 731 #SUP 0.70 #QF 0.70 assign (resid 72 and name HN ) (resid 72 and name HG1 ) 3.03 1.23 1.23 !peak 732 #SUP 0.60 #QF 0.60 assign (resid 72 and name HN ) (resid 73 and name HG11 ) 3.67 1.87 1.87 !peak 733 #SUP 0.97 #QF 0.97 assign (resid 72 and name HN ) (resid 73 and name HG2* ) 3.31 1.51 1.51 !peak 734 #SUP 0.98 #QF 0.98 assign (resid 69 and name HG2* ) (resid 72 and name HN ) 3.38 1.58 1.58 !peak 735 #SUP 0.95 #QF 0.95 assign (resid 87 and name HN ) (resid 88 and name HN ) 3.75 1.95 1.95 !peak 736 #SUP 0.98 #QF 0.98 assign (resid 87 and name HN ) (resid 89 and name HN ) 3.87 2.07 2.07 !peak 739 #SUP 0.76 #QF 0.76 assign (resid 87 and name HN ) (resid 92 and name HE3 ) 3.38 1.58 1.58 !peak 741 #SUP 0.88 #QF 0.88 assign (resid 87 and name HN ) (resid 92 and name HZ3 ) 2.88 1.08 1.08 !peak 742 #SUP 0.83 #QF 0.83 assign (resid 86 and name HA ) (resid 87 and name HN ) 2.48 0.68 0.68 !peak 743 #SUP 0.85 #QF 0.85 assign (resid 87 and name HN ) (resid 87 and name HB2 ) 3.18 1.38 1.38 !peak 746 #SUP 0.98 #QF 0.98 assign (resid 87 and name HN ) (resid 87 and name HB1 ) 3.18 1.38 1.38 !peak 747 #SUP 0.93 #QF 0.93 assign (resid 86 and name HB2 ) (resid 87 and name HN ) 3.36 1.56 1.56 !peak 748 #SUP 0.99 #QF 0.99 assign (resid 87 and name HN ) (resid 90 and name HB2 ) 3.45 1.65 1.65 !peak 749 #SUP 0.90 #QF 0.90 assign (resid 87 and name HN ) (resid 90 and name HB1 ) 3.52 1.72 1.72 !peak 750 #SUP 0.90 #QF 0.90 assign (resid 32 and name HD1* ) (resid 87 and name HN ) 4.11 2.31 2.31 !peak 752 #SUP 0.95 #QF 0.54 assign (resid 32 and name HD2* ) (resid 87 and name HN ) 4.11 2.31 2.31 !peak 753 #SUP 0.96 #QF 0.96 assign (resid 33 and name HN ) (resid 35 and name HN ) 3.66 1.86 1.86 !peak 754 #SUP 0.95 #QF 0.95 assign (resid 35 and name HN ) (resid 35 and name HG2 ) 3.10 1.30 1.30 !peak 763 #SUP 0.98 #QF 0.98 assign (resid 35 and name HN ) (resid 37 and name HG2* ) 3.76 1.96 1.96 !peak 764 #SUP 0.97 #QF 0.97 assign (resid 33 and name HB1 ) (resid 34 and name HN ) 2.87 1.07 1.07 !peak 771 #SUP 0.44 #QF 0.44 assign (resid 34 and name HN ) (resid 34 and name HB2 ) 3.00 1.20 1.20 !peak 773 #SUP 0.84 #QF 0.84 assign (resid 71 and name HN ) (resid 72 and name HN ) 2.76 0.96 0.96 !peak 779 #SUP 0.99 #QF 0.99 assign (resid 68 and name HA ) (resid 71 and name HN ) 3.17 1.37 1.37 !peak 780 #SUP 0.80 #QF 0.80 assign (resid 69 and name HA ) (resid 71 and name HN ) 3.51 1.71 1.71 !peak 783 #SUP 0.97 #QF 0.97 assign (resid 71 and name HN ) (resid 71 and name HG1 ) 3.07 1.27 1.27 !peak 785 #SUP 0.96 #QF 0.96 assign (resid 71 and name HN ) (resid 71 and name HG2 ) 3.07 1.27 1.27 !peak 786 #SUP 0.97 #QF 0.97 assign (resid 71 and name HN ) (resid 72 and name HD1 ) 3.36 1.56 1.56 !peak 789 #SUP 0.33 #QF 0.33 assign (resid 71 and name HN ) (resid 72 and name HG2 ) 3.46 1.66 1.66 !peak 790 #SUP 0.97 #QF 0.92 assign (resid 22 and name HD1* ) (resid 71 and name HN ) 4.14 2.34 2.34 !peak 791 #SUP 1.00 #QF 0.83 assign (resid 71 and name HN ) (resid 73 and name HG2* ) 4.35 2.55 2.55 !peak 791 #SUP 1.00 #QF 0.83 assign (resid 22 and name HD2* ) (resid 71 and name HN ) 3.79 1.99 1.99 !peak 792 #SUP 0.99 #QF 0.73 assign (resid 69 and name HG2* ) (resid 71 and name HN ) 4.02 2.22 2.22 !peak 792 #SUP 0.99 #QF 0.73 assign (resid 27 and name HN ) (resid 29 and name HN ) 3.68 1.88 1.88 !peak 793 #SUP 0.98 #QF 0.98 assign (resid 27 and name HN ) (resid 30 and name HN ) 3.74 1.94 1.94 !peak 795 #SUP 0.96 #QF 0.96 assign (resid 27 and name HN ) (resid 28 and name HN ) 2.86 1.06 1.06 !peak 797 #SUP 0.69 #QF 0.69 assign (resid 23 and name HA ) (resid 27 and name HN ) 3.41 1.61 1.61 !peak 798 #SUP 0.99 #QF 0.99 assign (resid 24 and name HA ) (resid 27 and name HN ) 3.20 1.40 1.40 !peak 799 #SUP 0.77 #QF 0.77 assign (resid 25 and name HA ) (resid 27 and name HN ) 3.56 1.76 1.76 !peak 802 #SUP 0.65 #QF 0.65 assign (resid 27 and name HN ) (resid 27 and name HB2 ) 2.46 0.66 0.66 !peak 806 #SUP 0.88 #QF 0.88 assign (resid 25 and name HB2 ) (resid 27 and name HN ) 4.26 2.46 2.46 !peak 809 #SUP 0.99 #QF 0.99 assign (resid 27 and name HN ) (resid 66 and name HD2* ) 4.21 2.41 2.41 !peak 810 #SUP 0.99 #QF 0.99 assign (resid 27 and name HN ) (resid 66 and name HD1* ) 4.21 2.41 2.41 !peak 811 #SUP 0.96 #QF 0.96 assign (resid 14 and name HB1 ) (resid 15 and name HN ) 3.82 2.02 2.02 !peak 816 #SUP 0.99 #QF 0.99 assign (resid 14 and name HB2 ) (resid 15 and name HN ) 3.82 2.02 2.02 !peak 817 #SUP 0.99 #QF 0.99 assign (resid 71 and name HN ) (resid 73 and name HN ) 3.52 1.72 1.72 !peak 820 #SUP 0.72 #QF 0.72 assign (resid 73 and name HN ) (resid 76 and name HN ) 3.75 1.95 1.95 !peak 821 #SUP 0.60 #QF 0.60 assign (resid 70 and name HA ) (resid 73 and name HN ) 3.24 1.44 1.44 !peak 827 #SUP 0.92 #QF 0.92 assign (resid 72 and name HB1 ) (resid 73 and name HN ) 3.27 1.47 1.47 !peak 829 #SUP 0.97 #QF 0.62 assign (resid 73 and name HN ) (resid 73 and name HG12 ) 2.83 1.03 1.03 !peak 830 #SUP 0.98 #QF 0.98 assign (resid 72 and name HG1 ) (resid 73 and name HN ) 3.74 1.94 1.94 !peak 831 #SUP 0.92 #QF 0.92 assign (resid 73 and name HN ) (resid 73 and name HG11 ) 2.96 1.16 1.16 !peak 832 #SUP 0.98 #QF 0.98 assign (resid 73 and name HN ) (resid 73 and name HG2* ) 2.76 0.96 0.96 !peak 833 #SUP 0.98 #QF 0.98 assign (resid 78 and name HN ) (resid 79 and name HN ) 3.60 1.80 1.80 !peak 835 #SUP 0.98 #QF 0.98 assign (resid 76 and name HA ) (resid 78 and name HN ) 3.60 1.80 1.80 !peak 838 #SUP 0.54 #QF 0.54 assign (resid 78 and name HN ) (resid 78 and name HB2 ) 3.05 1.25 1.25 !peak 840 #SUP 0.86 #QF 0.86 assign (resid 78 and name HN ) (resid 78 and name HB1 ) 3.05 1.25 1.25 !peak 841 #SUP 0.73 #QF 0.43 assign (resid 76 and name HG2 ) (resid 78 and name HN ) 4.35 2.55 2.55 !peak 842 #SUP 0.99 #QF 0.80 assign (resid 76 and name HG1 ) (resid 78 and name HN ) 4.35 2.55 2.55 !peak 842 #SUP 0.99 #QF 0.80 assign (resid 76 and name HB2 ) (resid 78 and name HN ) 3.47 1.67 1.67 !peak 843 #SUP 0.89 #QF 0.89 assign (resid 45 and name HG2* ) (resid 78 and name HN ) 3.57 1.77 1.77 !peak 844 #SUP 0.95 #QF 0.95 assign (resid 36 and name HN ) (resid 37 and name HN ) 2.73 0.93 0.93 !peak 847 #SUP 0.96 #QF 0.96 assign (resid 35 and name HN ) (resid 37 and name HN ) 3.21 1.41 1.41 !peak 848 #SUP 0.81 #QF 0.81 assign (resid 37 and name HN ) (resid 56 and name HD22 ) 3.91 2.11 2.11 !peak 850 #SUP 0.99 #QF 0.99 assign (resid 37 and name HN ) (resid 37 and name HB ) 2.95 1.15 1.15 !peak 852 #SUP 0.97 #QF 0.97 assign (resid 35 and name HA ) (resid 37 and name HN ) 3.64 1.84 1.84 !peak 853 #SUP 0.86 #QF 0.86 assign (resid 35 and name HG2 ) (resid 37 and name HN ) 3.18 1.38 1.38 !peak 858 #SUP 1.00 assign (resid 35 and name HG1 ) (resid 37 and name HN ) 3.18 1.38 1.38 !peak 859 #SUP 0.88 #QF 0.88 assign (resid 37 and name HN ) (resid 37 and name HG2* ) 2.59 0.79 0.79 !peak 860 #SUP 0.96 #QF 0.96 assign (resid 75 and name HN ) (resid 77 and name HN ) 3.49 1.69 1.69 !peak 864 #SUP 0.54 #QF 0.54 assign (resid 75 and name HA ) (resid 77 and name HN ) 3.87 2.07 2.07 !peak 866 #SUP 0.70 #QF 0.70 assign (resid 76 and name HG2 ) (resid 77 and name HN ) 4.27 2.47 2.47 !peak 869 #SUP 0.94 #QF 0.67 assign (resid 76 and name HG1 ) (resid 77 and name HN ) 4.27 2.47 2.47 !peak 869 #SUP 0.94 #QF 0.67 assign (resid 76 and name HB2 ) (resid 77 and name HN ) 3.19 1.39 1.39 !peak 871 #SUP 0.92 #QF 0.92 assign (resid 73 and name HG2* ) (resid 77 and name HN ) 4.09 2.29 2.29 !peak 872 #SUP 0.94 #QF 0.94 assign (resid 46 and name HN ) (resid 47 and name HN ) 2.95 1.15 1.15 !peak 873 #SUP 0.93 #QF 0.93 assign (resid 45 and name HN ) (resid 47 and name HN ) 3.43 1.63 1.63 !peak 875 #SUP 0.95 #QF 0.95 assign (resid 45 and name HA ) (resid 47 and name HN ) 3.17 1.37 1.37 !peak 878 #SUP 0.81 #QF 0.81 assign (resid 46 and name HA ) (resid 47 and name HN ) 2.74 0.94 0.94 !peak 879 #SUP 0.88 #QF 0.88 assign (resid 46 and name HB1 ) (resid 47 and name HN ) 3.43 1.63 1.63 !peak 882 #SUP 0.95 #QF 0.95 assign (resid 46 and name HB2 ) (resid 47 and name HN ) 3.43 1.63 1.63 !peak 883 #SUP 0.84 #QF 0.84 assign (resid 47 and name HN ) (resid 48 and name HB2 ) 4.08 2.28 2.28 !peak 884 #SUP 0.96 #QF 0.92 assign (resid 45 and name HG2* ) (resid 47 and name HN ) 3.56 1.76 1.76 !peak 885 #SUP 0.90 #QF 0.90 assign (resid 33 and name HN ) (resid 36 and name HN ) 3.76 1.96 1.96 !peak 886 #SUP 0.87 #QF 0.87 assign (resid 35 and name HN ) (resid 36 and name HN ) 2.64 0.84 0.84 !peak 888 #SUP 0.92 #QF 0.92 assign (resid 34 and name HN ) (resid 36 and name HN ) 3.29 1.49 1.49 !peak 889 #SUP 0.71 #QF 0.71 assign (resid 36 and name HN ) (resid 56 and name HD22 ) 4.24 2.44 2.43 !peak 891 #SUP 0.73 #QF 0.73 assign (resid 33 and name HA ) (resid 36 and name HN ) 2.93 1.13 1.13 !peak 892 #SUP 0.85 #QF 0.38 assign (resid 36 and name HN ) (resid 36 and name HA2 ) 2.58 0.78 0.78 !peak 893 #SUP 0.94 #QF 0.94 assign (resid 36 and name HN ) (resid 36 and name HA1 ) 2.58 0.78 0.78 !peak 894 #SUP 0.93 #QF 0.93 assign (resid 35 and name HB2 ) (resid 36 and name HN ) 3.57 1.77 1.77 !peak 896 #SUP 1.00 #QF 0.96 assign (resid 35 and name HB1 ) (resid 36 and name HN ) 3.57 1.77 1.77 !peak 896 #SUP 1.00 #QF 0.96 assign (resid 35 and name HG2 ) (resid 36 and name HN ) 3.32 1.52 1.52 !peak 897 #SUP 0.96 #QF 0.96 assign (resid 35 and name HG1 ) (resid 36 and name HN ) 3.32 1.52 1.52 !peak 898 #SUP 0.66 #QF 0.66 assign (resid 36 and name HN ) (resid 37 and name HG2* ) 3.40 1.60 1.60 !peak 899 #SUP 0.99 #QF 0.99 assign (resid 91 and name HN ) (resid 92 and name HN ) 3.50 1.70 1.70 !peak 908 #SUP 0.90 #QF 0.90 assign (resid 92 and name HN ) (resid 92 and name HE3 ) 2.77 0.97 0.97 !peak 909 #SUP 0.80 #QF 0.80 assign (resid 92 and name HN ) (resid 92 and name HZ3 ) 3.44 1.64 1.64 !peak 910 #SUP 0.57 #QF 0.57 assign (resid 86 and name HA ) (resid 92 and name HN ) 3.49 1.69 1.69 !peak 911 #SUP 0.79 #QF 0.79 assign (resid 91 and name HA ) (resid 92 and name HN ) 2.53 0.73 0.73 !peak 913 #SUP 0.82 #QF 0.82 assign (resid 92 and name HN ) (resid 92 and name HB2 ) 3.08 1.28 1.28 !peak 916 #SUP 0.64 #QF 0.64 assign (resid 92 and name HN ) (resid 92 and name HB1 ) 3.10 1.30 1.30 !peak 917 #SUP 0.73 #QF 0.73 assign (resid 85 and name HB ) (resid 92 and name HN ) 3.07 1.27 1.27 !peak 918 #SUP 0.83 #QF 0.83 assign (resid 91 and name HG2* ) (resid 92 and name HN ) 2.68 0.88 0.88 !peak 919 #SUP 0.61 #QF 0.61 assign (resid 57 and name HN ) (resid 58 and name HN ) 3.48 1.68 1.68 !peak 925 #SUP 0.79 #QF 0.79 assign (resid 57 and name HA ) (resid 58 and name HN ) 2.85 1.05 1.05 !peak 927 #SUP 0.95 #QF 0.95 assign (resid 58 and name HN ) (resid 61 and name HG2 ) 3.96 2.16 2.16 !peak 928 #SUP 0.89 #QF 0.72 assign (resid 58 and name HN ) (resid 61 and name HG1 ) 3.96 2.16 2.16 !peak 928 #SUP 0.89 #QF 0.72 assign (resid 57 and name HG12 ) (resid 58 and name HN ) 4.16 2.36 2.36 !peak 930 #SUP 0.69 #QF 0.69 assign (resid 21 and name HN ) (resid 22 and name HB2 ) 3.84 2.04 2.04 !peak 934 #SUP 0.75 #QF 0.75 assign (resid 37 and name HN ) (resid 56 and name HD21 ) 3.87 2.07 2.07 !peak 938 #SUP 0.78 #QF 0.78 assign (resid 55 and name HA ) (resid 56 and name HD21 ) 3.92 2.12 2.12 !peak 942 #SUP 0.53 #QF 0.53 assign (resid 55 and name HG2 ) (resid 56 and name HD21 ) 4.35 2.55 2.55 !peak 946 #SUP 0.66 #QF 0.47 assign (resid 55 and name HG1 ) (resid 56 and name HD21 ) 4.35 2.55 2.55 !peak 946 #SUP 0.66 #QF 0.47 assign (resid 23 and name HA ) (resid 27 and name HE21 ) 3.82 2.02 2.02 !peak 958 #SUP 0.96 #QF 0.96 assign (resid 27 and name HG2 ) (resid 27 and name HE21 ) 2.89 1.09 1.09 !peak 960 #SUP 0.97 #QF 0.97 assign (resid 27 and name HG1 ) (resid 27 and name HE21 ) 2.89 1.09 1.09 !peak 961 #SUP 0.96 #QF 0.96 assign (resid 23 and name HG1 ) (resid 27 and name HE21 ) 3.11 1.31 1.31 !peak 962 #SUP 0.96 #QF 0.96 assign (resid 27 and name HB1 ) (resid 27 and name HE22 ) 3.66 1.86 1.86 !peak 969 #SUP 0.64 #QF 0.64 assign (resid 90 and name HB2 ) (resid 90 and name HE22 ) 3.74 1.94 1.94 !peak 980 #SUP 0.85 #QF 0.53 assign (resid 90 and name HB1 ) (resid 90 and name HE22 ) 3.85 2.05 2.05 !peak 982 #SUP 0.76 #QF 0.76 assign (resid 46 and name HA ) (resid 46 and name HD21 ) 3.34 1.54 1.54 !peak 1006 #SUP 0.98 #QF 0.98 assign (resid 46 and name HD21 ) (resid 80 and name HB1 ) 3.92 2.12 2.12 !peak 1012 #SUP 0.89 #QF 0.70 assign (resid 45 and name HG2* ) (resid 46 and name HD21 ) 3.17 1.37 1.37 !peak 1014 #SUP 0.99 #QF 0.99 assign (resid 84 and name HD21 ) (resid 85 and name HN ) 3.88 2.08 2.08 !peak 1021 #SUP 0.88 #QF 0.88 assign (resid 84 and name HA ) (resid 84 and name HD21 ) 3.53 1.73 1.73 !peak 1025 #SUP 0.97 #QF 0.97 assign (resid 84 and name HD21 ) (resid 93 and name HG2* ) 3.50 1.70 1.70 !peak 1028 #SUP 0.98 #QF 0.98 assign (resid 84 and name HD21 ) (resid 91 and name HG2* ) 4.35 2.55 2.55 !peak 1029 #SUP 0.95 #QF 0.87 assign (resid 46 and name HA ) (resid 46 and name HD22 ) 3.34 1.54 1.54 !peak 1034 #SUP 0.99 #QF 0.99 assign (resid 46 and name HD22 ) (resid 80 and name HB1 ) 3.92 2.12 2.12 !peak 1038 #SUP 0.91 #QF 0.75 assign (resid 46 and name HD22 ) (resid 80 and name HB2 ) 3.92 2.12 2.12 !peak 1039 #SUP 0.80 #QF 0.80 assign (resid 45 and name HG2* ) (resid 46 and name HD22 ) 3.17 1.37 1.37 !peak 1040 #SUP 1.00 assign (resid 27 and name HN ) (resid 27 and name HE22 ) 4.16 2.36 2.36 !peak 1045 #SUP 0.83 #QF 0.83 assign (resid 45 and name HG2* ) (resid 46 and name HN ) 2.79 0.99 0.99 !peak 1051 #SUP 0.98 #QF 0.98 assign (resid 45 and name HG11 ) (resid 46 and name HN ) 3.92 2.12 2.12 !peak 1052 #SUP 1.00 assign (resid 45 and name HG12 ) (resid 46 and name HN ) 3.37 1.57 1.57 !peak 1053 #SUP 0.95 #QF 0.95 assign (resid 45 and name HD1* ) (resid 46 and name HN ) 3.73 1.93 1.93 !peak 1054 #SUP 0.99 #QF 0.99 assign (resid 40 and name HG1* ) (resid 53 and name HN ) 3.52 1.72 1.72 !peak 1055 #SUP 0.75 #QF 0.75 assign (resid 43 and name HG1* ) (resid 82 and name HN ) 3.80 2.00 2.00 !peak 1057 #SUP 0.91 #QF 0.48 assign (resid 52 and name HA ) (resid 53 and name HN ) 2.43 0.63 0.63 !peak 1058 #SUP 0.79 #QF 0.79 assign (resid 45 and name HA ) (resid 82 and name HN ) 3.22 1.42 1.42 !peak 1059 #SUP 0.37 #QF 0.37 assign (resid 24 and name HN ) (resid 24 and name HG2 ) 3.16 1.36 1.36 !peak 1064 #SUP 0.72 #QF 0.58 assign (resid 24 and name HN ) (resid 24 and name HG1 ) 3.16 1.36 1.36 !peak 1064 #SUP 0.72 #QF 0.58 assign (resid 61 and name HB1 ) (resid 62 and name HN ) 3.15 1.35 1.35 !peak 1067 #SUP 0.92 #QF 0.41 assign (resid 62 and name HN ) (resid 62 and name HB1 ) 3.13 1.33 1.33 !peak 1069 #SUP 1.00 assign (resid 62 and name HN ) (resid 62 and name HB2 ) 3.17 1.37 1.37 !peak 1070 #SUP 1.00 assign (resid 61 and name HN ) (resid 62 and name HB1 ) 3.61 1.81 1.81 !peak 1071 #SUP 0.65 #QF 0.65 assign (resid 25 and name HN ) (resid 25 and name HG ) 3.78 1.98 1.97 !peak 1072 #SUP 0.71 #QF 0.71 assign (resid 32 and name HB1 ) (resid 33 and name HN ) 3.36 1.56 1.56 !peak 1073 #SUP 1.00 assign (resid 32 and name HB2 ) (resid 33 and name HN ) 3.00 1.20 1.20 !peak 1074 #SUP 0.86 #QF 0.86 assign (resid 56 and name HN ) (resid 57 and name HG2* ) 4.35 2.55 2.55 !peak 1076 #SUP 0.92 #QF 0.39 assign (resid 27 and name HA ) (resid 27 and name HE22 ) 4.14 2.34 2.34 !peak 1079 #SUP 0.86 #QF 0.86 assign (resid 57 and name HN ) (resid 57 and name HD1* ) 3.19 1.39 1.39 !peak 1080 #SUP 1.00 assign (resid 62 and name HA ) (resid 64 and name HN ) 3.26 1.46 1.46 !peak 1088 #SUP 0.95 #QF 0.95 assign (resid 75 and name HN ) (resid 75 and name HB2 ) 3.27 1.47 1.47 !peak 1090 #SUP 1.00 #QF 0.95 assign (resid 75 and name HN ) (resid 75 and name HB1 ) 3.27 1.47 1.47 !peak 1090 #SUP 1.00 #QF 0.95 assign (resid 74 and name HA ) (resid 77 and name HN ) 3.53 1.73 1.73 !peak 1091 #SUP 0.63 #QF 0.63 assign (resid 85 and name HN ) (resid 85 and name HB ) 2.93 1.13 1.13 !peak 1095 #SUP 0.98 #QF 0.98 assign (resid 88 and name HN ) (resid 89 and name HN ) 4.35 2.55 2.55 !peak 1098 #SUP 0.83 #QF 0.83 assign (resid 22 and name HA ) (resid 24 and name HN ) 3.58 1.78 1.78 !peak 1106 #SUP 0.93 #QF 0.83 assign (resid 59 and name HA ) (resid 61 and name HN ) 3.80 2.00 2.00 !peak 1106 #SUP 0.93 #QF 0.83 assign (resid 35 and name HN ) (resid 35 and name HG1 ) 3.10 1.30 1.30 !peak 1109 #SUP 0.98 #QF 0.98 assign (resid 34 and name HB1 ) (resid 35 and name HN ) 3.24 1.44 1.44 !peak 1110 #SUP 0.60 #QF 0.60 assign (resid 91 and name HN ) (resid 91 and name HB ) 3.13 1.33 1.33 !peak 1111 #SUP 0.77 #QF 0.77 assign (resid 11 and name HN ) (resid 11 and name HD1* ) 3.86 2.06 2.06 !peak 1117 #SUP 0.84 #QF 0.51 assign (resid 11 and name HN ) (resid 11 and name HD2* ) 3.86 2.06 2.06 !peak 1117 #SUP 0.84 #QF 0.51 assign (resid 18 and name HG2* ) (resid 22 and name HN ) 3.60 1.80 1.80 !peak 1123 #SUP 0.98 #QF 0.98 assign (resid 27 and name HB2 ) (resid 27 and name HE21 ) 3.55 1.75 1.74 !peak 1127 #SUP 1.00 assign (resid 27 and name HB1 ) (resid 27 and name HE21 ) 3.78 1.98 1.98 !peak 1127 #SUP 1.00 assign (resid 44 and name HN ) (resid 83 and name HA ) 3.01 1.21 1.21 !peak 1130 #SUP 0.79 #QF 0.79 assign (resid 56 and name HN ) (resid 56 and name HD22 ) 4.13 2.33 2.33 !peak 1132 #SUP 0.66 #QF 0.66 assign (resid 56 and name HN ) (resid 56 and name HD21 ) 4.26 2.46 2.46 !peak 1133 #SUP 0.98 #QF 0.98 assign (resid 72 and name HN ) (resid 72 and name HD2 ) 3.81 2.01 2.01 !peak 1135 #SUP 1.00 #QF 0.83 assign (resid 72 and name HN ) (resid 72 and name HD1 ) 3.92 2.12 2.12 !peak 1135 #SUP 1.00 #QF 0.83 assign (resid 75 and name HB2 ) (resid 76 and name HN ) 3.65 1.85 1.85 !peak 1137 #SUP 1.00 #QF 0.96 assign (resid 75 and name HB1 ) (resid 76 and name HN ) 3.65 1.85 1.85 !peak 1137 #SUP 1.00 #QF 0.96 assign (resid 76 and name HN ) (resid 76 and name HB1 ) 3.11 1.31 1.31 !peak 1138 #SUP 0.94 #QF 0.94 assign (resid 73 and name HA ) (resid 77 and name HN ) 3.03 1.23 1.23 !peak 1139 #SUP 0.58 #QF 0.58 assign (resid 94 and name HB2 ) (resid 95 and name HN ) 3.43 1.63 1.63 !peak 1141 #SUP 1.00 #QF 0.23 assign (resid 94 and name HB1 ) (resid 95 and name HN ) 3.41 1.61 1.61 !peak 1142 #SUP 0.96 #QF 0.96 assign (resid 28 and name HA ) (resid 28 and name HD1* ) 3.30 1.50 1.50 !peak 8 #SUP 0.47 #QF 0.47 assign (resid 65 and name HB2 ) (resid 65 and name HD2* ) 2.95 1.15 1.15 !peak 42 #SUP 1.00 #QF 0.38 assign (resid 28 and name HA ) (resid 28 and name HD2* ) 3.30 1.50 1.50 !peak 56 #SUP 0.48 #QF 0.48 assign (resid 32 and name HD2* ) (resid 87 and name HB1 ) 4.05 2.25 2.25 !peak 69 #SUP 0.72 #QF 0.72 assign (resid 32 and name HB1 ) (resid 32 and name HD2* ) 2.94 1.14 1.14 !peak 76 #SUP 0.41 #QF 0.41 assign (resid 32 and name HB2 ) (resid 39 and name HD1* ) 2.91 1.11 1.11 !peak 78 #SUP 0.52 #QF 0.52 assign (resid 30 and name HG1 ) (resid 62 and name HD2* ) 3.60 1.80 1.80 !peak 86 #SUP 0.73 #QF 0.73 assign (resid 33 and name HB1 ) (resid 39 and name HD1* ) 4.35 2.55 2.55 !peak 88 #SUP 0.85 #QF 0.85 assign (resid 59 and name HA ) (resid 62 and name HD2* ) 3.44 1.64 1.64 !peak 93 #SUP 0.86 #QF 0.86 assign (resid 54 and name HG2* ) (resid 57 and name HD1* ) 3.12 1.32 1.32 !peak 96 #SUP 0.86 #QF 0.86 assign (resid 29 and name HA ) (resid 39 and name HG2* ) 3.43 1.63 1.63 !peak 101 #SUP 0.93 #QF 0.93 assign (resid 73 and name HA ) (resid 73 and name HD1* ) 3.26 1.46 1.46 !peak 105 #SUP 0.64 #QF 0.64 assign (resid 22 and name HD2* ) (resid 66 and name HA ) 3.32 1.52 1.52 !peak 108 #SUP 0.92 #QF 0.66 assign (resid 39 and name HG2* ) (resid 87 and name HB2 ) 3.36 1.56 1.56 !peak 109 #SUP 0.93 #QF 0.35 assign (resid 52 and name HD1* ) (resid 68 and name HD1 ) 3.37 1.57 1.57 !peak 111 #SUP 0.96 #QF 0.92 assign (resid 32 and name HD1* ) (resid 87 and name HB1 ) 4.05 2.25 2.25 !peak 115 #SUP 0.88 #QF 0.74 assign (resid 39 and name HG2* ) (resid 87 and name HB1 ) 3.36 1.56 1.56 !peak 115 #SUP 0.88 #QF 0.74 assign (resid 52 and name HD1* ) (resid 65 and name HB1 ) 3.60 1.80 1.80 !peak 117 #SUP 0.57 #QF 0.57 assign (resid 39 and name HG2* ) (resid 41 and name HG2* ) 2.49 0.69 0.69 !peak 122 #SUP 0.62 #QF 0.62 assign (resid 18 and name HG2* ) (resid 73 and name HD1* ) 2.70 0.90 0.90 !peak 125 #SUP 0.70 #QF 0.55 assign (resid 59 and name HA ) (resid 62 and name HD1* ) 3.44 1.64 1.64 !peak 126 #SUP 0.83 #QF 0.83 assign (resid 39 and name HG2* ) (resid 39 and name HD1* ) 2.37 0.57 0.57 !peak 129 #SUP 0.77 #QF 0.77 assign (resid 52 and name HD1* ) (resid 68 and name HD2 ) 3.37 1.57 1.57 !peak 133 #SUP 0.97 #QF 0.97 assign (resid 22 and name HD2* ) (resid 70 and name HA ) 3.01 1.21 1.21 !peak 137 #SUP 0.77 #QF 0.52 assign (resid 69 and name HG2* ) (resid 70 and name HA ) 3.21 1.41 1.41 !peak 137 #SUP 0.77 #QF 0.52 assign (resid 30 and name HG1 ) (resid 62 and name HD1* ) 3.60 1.80 1.80 !peak 138 #SUP 0.59 #QF 0.59 assign (resid 32 and name HB2 ) (resid 32 and name HD1* ) 2.94 1.14 1.14 !peak 139 #SUP 0.57 #QF 0.57 assign (resid 30 and name HG2 ) (resid 62 and name HD1* ) 3.76 1.96 1.96 !peak 140 #SUP 0.71 #QF 0.71 assign (resid 69 and name HG2* ) (resid 72 and name HB2 ) 3.57 1.77 1.77 !peak 141 #SUP 0.96 #QF 0.96 assign (resid 22 and name HA ) (resid 22 and name HD2* ) 2.77 0.97 0.97 !peak 144 #SUP 0.68 #QF 0.30 assign (resid 69 and name HA ) (resid 69 and name HG2* ) 2.67 0.87 0.87 !peak 148 #SUP 0.84 #QF 0.59 assign (resid 69 and name HA ) (resid 69 and name HG11 ) 2.92 1.12 1.12 !peak 148 #SUP 0.84 #QF 0.59 assign (resid 66 and name HB2 ) (resid 66 and name HD1* ) 3.29 1.49 1.49 !peak 151 #SUP 0.89 #QF 0.89 assign (resid 26 and name HA ) (resid 66 and name HD1* ) 3.61 1.81 1.81 !peak 154 #SUP 0.85 #QF 0.32 assign (resid 29 and name HD2 ) (resid 39 and name HG12 ) 3.51 1.71 1.71 !peak 157 #SUP 0.96 #QF 0.96 assign (resid 45 and name HD1* ) (resid 72 and name HE* ) 3.91 2.11 2.11 !peak 158 #SUP 0.54 #QF 0.35 assign (resid 54 and name HG1* ) (resid 57 and name HD1* ) 3.12 1.32 1.32 !peak 163 #SUP 0.79 #QF 0.32 assign (resid 57 and name HG2* ) (resid 57 and name HD1* ) 3.11 1.31 1.31 !peak 163 #SUP 0.79 #QF 0.32 assign (resid 57 and name HG2* ) (resid 61 and name HG1 ) 3.48 1.68 1.68 !peak 164 #SUP 0.53 #QF 0.53 assign (resid 54 and name HA ) (resid 54 and name HG1* ) 2.87 1.07 1.07 !peak 165 #SUP 0.83 #QF 0.83 assign (resid 25 and name HB1 ) (resid 69 and name HD1* ) 3.30 1.50 1.50 !peak 170 #SUP 0.78 #QF 0.78 assign (resid 52 and name HG2* ) (resid 53 and name HB2 ) 4.19 2.39 2.39 !peak 176 #SUP 0.96 #QF 0.89 assign (resid 52 and name HG2* ) (resid 68 and name HD1 ) 3.59 1.79 1.79 !peak 179 #SUP 0.84 #QF 0.67 assign (resid 52 and name HG2* ) (resid 68 and name HD2 ) 3.59 1.79 1.79 !peak 184 #SUP 0.88 #QF 0.77 assign (resid 52 and name HG2* ) (resid 52 and name HG12 ) 2.76 0.96 0.96 !peak 188 #SUP 0.99 #QF 0.91 assign (resid 52 and name HG2* ) (resid 52 and name HD1* ) 2.28 0.48 0.48 !peak 190 #SUP 0.98 #QF 0.98 assign (resid 73 and name HA ) (resid 73 and name HG2* ) 2.78 0.98 0.98 !peak 196 #SUP 0.96 #QF 0.96 assign (resid 18 and name HG2* ) (resid 22 and name HD1* ) 2.72 0.92 0.92 !peak 199 #SUP 0.91 #QF 0.91 assign (resid 69 and name HG2* ) (resid 69 and name HD1* ) 2.43 0.63 0.63 !peak 200 #SUP 0.29 #QF 0.29 assign (resid 26 and name HB1 ) (resid 66 and name HD2* ) 4.03 2.23 2.23 !peak 201 #SUP 0.93 #QF 0.93 assign (resid 22 and name HD1* ) (resid 70 and name HD1 ) 3.46 1.66 1.66 !peak 203 #SUP 0.88 #QF 0.88 assign (resid 22 and name HD1* ) (resid 70 and name HD2 ) 3.46 1.66 1.66 !peak 204 #SUP 0.88 #QF 0.88 assign (resid 70 and name HA ) (resid 73 and name HG2* ) 3.30 1.50 1.50 !peak 205 #SUP 0.96 #QF 0.83 assign (resid 22 and name HA ) (resid 22 and name HD1* ) 3.17 1.37 1.37 !peak 213 #SUP 0.48 #QF 0.48 assign (resid 25 and name HB2 ) (resid 66 and name HD2* ) 3.55 1.75 1.74 !peak 214 #SUP 0.82 #QF 0.82 assign (resid 28 and name HG ) (resid 29 and name HD2 ) 3.61 1.81 1.81 !peak 217 #SUP 0.90 #QF 0.90 assign (resid 43 and name HG1* ) (resid 50 and name HB2 ) 2.95 1.15 1.15 !peak 228 #SUP 0.96 #QF 0.79 assign (resid 43 and name HG2* ) (resid 50 and name HB1 ) 3.20 1.40 1.40 !peak 228 #SUP 0.96 #QF 0.79 assign (resid 52 and name HA ) (resid 52 and name HG11 ) 3.07 1.27 1.27 !peak 238 #SUP 0.92 #QF 0.92 assign (resid 40 and name HG1* ) (resid 51 and name HG1 ) 3.11 1.31 1.31 !peak 239 #SUP 0.63 #QF 0.63 assign (resid 52 and name HG2* ) (resid 52 and name HG11 ) 2.76 0.96 0.96 !peak 240 #SUP 0.86 #QF 0.86 assign (resid 40 and name HG1* ) (resid 53 and name HG1 ) 3.00 1.20 1.20 !peak 241 #SUP 0.95 #QF 0.92 assign (resid 40 and name HG1* ) (resid 51 and name HG2 ) 3.32 1.52 1.52 !peak 242 #SUP 0.63 #QF 0.63 assign (resid 40 and name HG1* ) (resid 86 and name HD2 ) 3.05 1.25 1.25 !peak 245 #SUP 0.89 #QF 0.89 assign (resid 38 and name HG2 ) (resid 40 and name HG2* ) 3.87 2.07 2.07 !peak 246 #SUP 0.98 #QF 0.98 assign (resid 40 and name HG2* ) (resid 86 and name HB1 ) 3.59 1.79 1.79 !peak 250 #SUP 0.80 #QF 0.71 assign (resid 86 and name HB1 ) (resid 91 and name HG2* ) 3.87 2.07 2.07 !peak 250 #SUP 0.80 #QF 0.71 assign (resid 86 and name HA ) (resid 91 and name HG2* ) 3.58 1.78 1.78 !peak 252 #SUP 0.94 #QF 0.81 assign (resid 38 and name HG1 ) (resid 40 and name HG2* ) 3.11 1.31 1.31 !peak 254 #SUP 0.63 #QF 0.63 assign (resid 38 and name HB2 ) (resid 40 and name HG2* ) 3.32 1.52 1.52 !peak 255 #SUP 0.80 #QF 0.80 assign (resid 91 and name HA ) (resid 91 and name HG2* ) 2.84 1.04 1.04 !peak 257 #SUP 0.88 #QF 0.88 assign (resid 39 and name HD1* ) (resid 41 and name HG2* ) 3.68 1.88 1.88 !peak 258 #SUP 0.52 #QF 0.24 assign (resid 41 and name HG2* ) (resid 65 and name HD2* ) 2.95 1.15 1.15 !peak 262 #SUP 0.95 #QF 0.70 assign (resid 29 and name HD2 ) (resid 41 and name HG2* ) 3.88 2.08 2.08 !peak 266 #SUP 0.93 #QF 0.88 assign (resid 41 and name HG2* ) (resid 65 and name HD1* ) 2.95 1.15 1.15 !peak 267 #SUP 0.96 #QF 0.96 assign (resid 73 and name HA ) (resid 73 and name HG11 ) 3.30 1.50 1.50 !peak 270 #SUP 0.75 #QF 0.75 assign (resid 25 and name HB1 ) (resid 41 and name HG2* ) 4.35 2.55 2.55 !peak 271 #SUP 0.73 #QF 0.27 assign (resid 73 and name HG2* ) (resid 73 and name HG11 ) 2.94 1.14 1.14 !peak 276 #SUP 0.76 #QF 0.76 assign (resid 45 and name HG2* ) (resid 45 and name HG12 ) 2.87 1.07 1.07 !peak 282 #SUP 0.95 #QF 0.95 assign (resid 57 and name HG2* ) (resid 57 and name HG11 ) 2.95 1.15 1.15 !peak 294 #SUP 0.65 #QF 0.65 assign (resid 59 and name HA ) (resid 59 and name HG2 ) 3.34 1.54 1.54 !peak 300 #SUP 0.91 #QF 0.91 assign (resid 59 and name HG2 ) (resid 59 and name HE* ) 2.98 1.18 1.18 !peak 301 #SUP 0.98 #QF 0.98 assign (resid 18 and name HG2* ) (resid 22 and name HD2* ) 3.27 1.47 1.47 !peak 308 #SUP 0.97 #QF 0.97 assign (resid 18 and name HG2* ) (resid 70 and name HB1 ) 3.60 1.80 1.80 !peak 310 #SUP 0.45 #QF 0.45 assign (resid 22 and name HA ) (resid 25 and name HB2 ) 3.58 1.78 1.78 !peak 316 #SUP 0.38 #QF 0.38 assign (resid 59 and name HA ) (resid 59 and name HG1 ) 3.34 1.54 1.54 !peak 323 #SUP 0.88 #QF 0.88 assign (resid 59 and name HG1 ) (resid 59 and name HE* ) 2.98 1.18 1.18 !peak 326 #SUP 0.98 #QF 0.98 assign (resid 32 and name HB1 ) (resid 32 and name HD1* ) 2.94 1.14 1.14 !peak 330 #SUP 0.95 #QF 0.95 assign (resid 32 and name HB1 ) (resid 39 and name HD1* ) 2.95 1.15 1.15 !peak 337 #SUP 0.78 #QF 0.78 assign (resid 97 and name HG2 ) (resid 97 and name HE* ) 2.98 1.18 1.18 !peak 344 #SUP 0.99 #QF 0.74 assign (resid 97 and name HG1 ) (resid 97 and name HE* ) 2.98 1.18 1.18 !peak 344 #SUP 0.99 #QF 0.74 assign (resid 40 and name HG1* ) (resid 53 and name HG2 ) 3.00 1.20 1.20 !peak 356 #SUP 0.97 #QF 0.69 assign (resid 41 and name HB ) (resid 65 and name HG ) 4.35 2.55 2.55 !peak 357 #SUP 0.99 #QF 0.69 assign (resid 41 and name HG2* ) (resid 65 and name HG ) 3.42 1.62 1.62 !peak 364 #SUP 0.66 #QF 0.66 assign (resid 22 and name HB1 ) (resid 22 and name HD2* ) 3.04 1.24 1.24 !peak 368 #SUP 0.92 #QF 0.92 assign (resid 22 and name HB1 ) (resid 22 and name HD1* ) 2.77 0.97 0.97 !peak 369 #SUP 0.87 #QF 0.83 assign (resid 72 and name HA ) (resid 72 and name HG2 ) 2.91 1.11 1.11 !peak 373 #SUP 0.89 #QF 0.89 assign (resid 26 and name HA ) (resid 26 and name HG2 ) 3.12 1.32 1.32 !peak 380 #SUP 0.99 #QF 0.81 assign (resid 26 and name HA ) (resid 26 and name HG1 ) 3.12 1.32 1.32 !peak 380 #SUP 0.99 #QF 0.81 assign (resid 44 and name HA ) (resid 45 and name HG11 ) 3.87 2.07 2.07 !peak 388 #SUP 0.85 #QF 0.57 assign (resid 44 and name HA ) (resid 49 and name HB2 ) 4.03 2.23 2.23 !peak 388 #SUP 0.85 #QF 0.57 assign (resid 57 and name HD1* ) (resid 62 and name HB2 ) 3.17 1.37 1.37 !peak 389 #SUP 0.65 #QF 0.65 assign (resid 39 and name HB ) (resid 39 and name HD1* ) 2.71 0.91 0.91 !peak 392 #SUP 0.99 #QF 0.99 assign (resid 39 and name HB ) (resid 54 and name HB ) 3.41 1.61 1.61 !peak 393 #SUP 0.93 #QF 0.93 assign (resid 72 and name HG1 ) (resid 72 and name HE* ) 3.11 1.31 1.31 !peak 395 #SUP 0.97 #QF 0.92 assign (resid 45 and name HG2* ) (resid 45 and name HG11 ) 2.79 0.99 0.99 !peak 401 #SUP 0.99 #QF 0.99 assign (resid 43 and name HG1* ) (resid 72 and name HG1 ) 2.71 0.91 0.91 !peak 402 #SUP 0.73 #QF 0.60 assign (resid 38 and name HA ) (resid 55 and name HG2 ) 2.96 1.16 1.16 !peak 405 #SUP 0.82 #QF 0.35 assign (resid 55 and name HA ) (resid 55 and name HG2 ) 3.19 1.39 1.39 !peak 405 #SUP 0.82 #QF 0.35 assign (resid 55 and name HA ) (resid 55 and name HG1 ) 3.23 1.43 1.43 !peak 405 #SUP 0.82 #QF 0.35 assign (resid 41 and name HG2* ) (resid 52 and name HB ) 2.98 1.18 1.18 !peak 406 #SUP 0.91 #QF 0.91 assign (resid 59 and name HA ) (resid 62 and name HG ) 3.19 1.39 1.39 !peak 410 #SUP 0.80 #QF 0.48 assign (resid 41 and name HB ) (resid 52 and name HB ) 2.82 1.02 1.02 !peak 414 #SUP 0.89 #QF 0.89 assign (resid 38 and name HG1 ) (resid 55 and name HG2 ) 4.18 2.38 2.38 !peak 416 #SUP 0.36 #QF 0.36 assign (resid 64 and name HB2 ) (resid 64 and name HG2 ) 2.49 0.69 0.69 !peak 417 #SUP 0.74 #QF 0.74 assign (resid 52 and name HB ) (resid 52 and name HD1* ) 2.56 0.76 0.76 !peak 418 #SUP 0.90 #QF 0.90 assign (resid 30 and name HG2 ) (resid 62 and name HG ) 4.03 2.23 2.23 !peak 421 #SUP 0.90 #QF 0.40 assign (resid 62 and name HB1 ) (resid 62 and name HD1* ) 3.32 1.52 1.52 !peak 424 #SUP 0.94 #QF 0.57 assign (resid 69 and name HA ) (resid 72 and name HD1 ) 3.46 1.66 1.66 !peak 427 #SUP 0.95 #QF 0.23 assign (resid 49 and name HB1 ) (resid 49 and name HD2 ) 3.33 1.53 1.53 !peak 433 #SUP 0.86 #QF 0.37 assign (resid 57 and name HB ) (resid 62 and name HB1 ) 3.12 1.32 1.32 !peak 437 #SUP 0.52 #QF 0.52 assign (resid 66 and name HB1 ) (resid 66 and name HD2* ) 3.29 1.49 1.49 !peak 447 #SUP 0.93 #QF 0.93 assign (resid 70 and name HB2 ) (resid 73 and name HG12 ) 3.21 1.41 1.41 !peak 452 #SUP 0.58 #QF 0.58 assign (resid 70 and name HA ) (resid 73 and name HG12 ) 3.42 1.62 1.62 !peak 462 #SUP 0.58 #QF 0.58 assign (resid 18 and name HG2* ) (resid 22 and name HG ) 3.35 1.55 1.55 !peak 469 #SUP 0.77 #QF 0.77 assign (resid 40 and name HG2* ) (resid 53 and name HB1 ) 3.09 1.29 1.28 !peak 475 #SUP 0.46 #QF 0.46 assign (resid 45 and name HB ) (resid 45 and name HD1* ) 2.69 0.89 0.89 !peak 483 #SUP 0.87 #QF 0.87 assign (resid 18 and name HG2* ) (resid 70 and name HB2 ) 3.33 1.53 1.53 !peak 493 #SUP 0.92 #QF 0.88 assign (resid 22 and name HD2* ) (resid 69 and name HB ) 3.02 1.22 1.22 !peak 494 #SUP 0.99 #QF 0.78 assign (resid 22 and name HD2* ) (resid 70 and name HB2 ) 3.16 1.36 1.36 !peak 494 #SUP 0.99 #QF 0.78 assign (resid 68 and name HA ) (resid 68 and name HG1 ) 3.18 1.38 1.38 !peak 495 #SUP 0.76 #QF 0.76 assign (resid 64 and name HB1 ) (resid 64 and name HE* ) 3.15 1.35 1.35 !peak 507 #SUP 0.95 #QF 0.68 assign (resid 66 and name HB2 ) (resid 66 and name HD2* ) 3.29 1.49 1.49 !peak 509 #SUP 0.97 #QF 0.52 assign (resid 59 and name HE* ) (resid 60 and name HB2 ) 3.57 1.77 1.77 !peak 512 #SUP 0.41 #QF 0.41 assign (resid 35 and name HA ) (resid 35 and name HG2 ) 3.32 1.52 1.52 !peak 515 #SUP 0.74 #QF 0.74 assign (resid 73 and name HB ) (resid 73 and name HD1* ) 2.67 0.87 0.87 !peak 516 #SUP 0.49 #QF 0.49 assign (resid 60 and name HA ) (resid 60 and name HB2 ) 2.43 0.63 0.63 !peak 519 #SUP 0.87 #QF 0.87 assign (resid 69 and name HA ) (resid 69 and name HG12 ) 2.92 1.12 1.12 !peak 520 #SUP 0.91 #QF 0.91 assign (resid 45 and name HD1* ) (resid 72 and name HB2 ) 2.89 1.09 1.09 !peak 521 #SUP 0.95 #QF 0.91 assign (resid 45 and name HG12 ) (resid 81 and name HB ) 3.71 1.91 1.91 !peak 523 #SUP 0.74 #QF 0.33 assign (resid 45 and name HG2* ) (resid 76 and name HB2 ) 3.06 1.26 1.26 !peak 531 #SUP 0.96 #QF 0.93 assign (resid 41 and name HG2* ) (resid 65 and name HB1 ) 3.63 1.83 1.83 !peak 534 #SUP 0.70 #QF 0.70 assign (resid 41 and name HG1* ) (resid 65 and name HB1 ) 2.90 1.10 1.10 !peak 535 #SUP 0.59 #QF 0.59 assign (resid 65 and name HB1 ) (resid 65 and name HD1* ) 2.91 1.11 1.11 !peak 540 #SUP 0.76 #QF 0.76 assign (resid 65 and name HB1 ) (resid 65 and name HD2* ) 2.91 1.11 1.11 !peak 541 #SUP 0.60 #QF 0.60 assign (resid 43 and name HB ) (resid 72 and name HE* ) 3.56 1.76 1.76 !peak 550 #SUP 0.71 #QF 0.21 assign (resid 43 and name HB ) (resid 50 and name HB2 ) 2.86 1.06 1.06 !peak 567 #SUP 0.97 #QF 0.80 assign (resid 43 and name HB ) (resid 50 and name HB1 ) 3.00 1.20 1.20 !peak 567 #SUP 0.97 #QF 0.80 assign (resid 59 and name HE* ) (resid 60 and name HB1 ) 3.57 1.77 1.77 !peak 568 #SUP 0.88 #QF 0.88 assign (resid 45 and name HD1* ) (resid 76 and name HB1 ) 3.27 1.47 1.47 !peak 571 #SUP 0.91 #QF 0.91 assign (resid 39 and name HG2* ) (resid 40 and name HB ) 4.01 2.21 2.20 !peak 577 #SUP 0.91 #QF 0.76 assign (resid 39 and name HG2* ) (resid 41 and name HB ) 4.35 2.55 2.55 !peak 577 #SUP 0.91 #QF 0.76 assign (resid 39 and name HG2* ) (resid 54 and name HB ) 4.35 2.55 2.55 !peak 577 #SUP 0.91 #QF 0.76 assign (resid 41 and name HB ) (resid 52 and name HD1* ) 2.86 1.06 1.06 !peak 578 #SUP 0.90 #QF 0.90 assign (resid 45 and name HB ) (resid 48 and name HB2 ) 3.44 1.64 1.64 !peak 579 #SUP 0.60 #QF 0.60 assign (resid 60 and name HA ) (resid 60 and name HB1 ) 2.43 0.63 0.63 !peak 583 #SUP 0.62 #QF 0.62 assign (resid 48 and name HA ) (resid 48 and name HB1 ) 2.48 0.68 0.68 !peak 584 #SUP 0.44 #QF 0.44 assign (resid 45 and name HG2* ) (resid 76 and name HB1 ) 3.06 1.26 1.26 !peak 585 #SUP 0.83 #QF 0.22 assign (resid 48 and name HB1 ) (resid 49 and name HG2 ) 4.35 2.55 2.55 !peak 594 #SUP 0.81 #QF 0.40 assign (resid 33 and name HB1 ) (resid 34 and name HB1 ) 3.83 2.03 2.03 !peak 603 #SUP 0.50 #QF 0.50 assign (resid 48 and name HA ) (resid 48 and name HG1 ) 3.05 1.25 1.25 !peak 605 #SUP 0.62 #QF 0.62 assign (resid 37 and name HG2* ) (resid 38 and name HG2 ) 3.57 1.77 1.77 !peak 616 #SUP 0.68 #QF 0.68 assign (resid 84 and name HB2 ) (resid 93 and name HG2* ) 3.86 2.06 2.06 !peak 619 #SUP 0.98 #QF 0.98 assign (resid 57 and name HG2* ) (resid 61 and name HG2 ) 3.48 1.68 1.68 !peak 627 #SUP 0.66 #QF 0.66 assign (resid 34 and name HG2 ) (resid 35 and name HA ) 4.10 2.30 2.30 !peak 638 #SUP 0.91 #QF 0.80 assign (resid 34 and name HG1 ) (resid 35 and name HA ) 4.10 2.30 2.30 !peak 638 #SUP 0.91 #QF 0.80 assign (resid 45 and name HD1* ) (resid 76 and name HG2 ) 3.86 2.06 2.06 !peak 639 #SUP 0.95 #QF 0.86 assign (resid 45 and name HD1* ) (resid 76 and name HG1 ) 3.86 2.06 2.06 !peak 639 #SUP 0.95 #QF 0.86 assign (resid 45 and name HG2* ) (resid 76 and name HG2 ) 3.49 1.69 1.69 !peak 641 #SUP 0.98 #QF 0.86 assign (resid 45 and name HG2* ) (resid 76 and name HG1 ) 3.49 1.69 1.69 !peak 641 #SUP 0.98 #QF 0.86 assign (resid 24 and name HA ) (resid 27 and name HG1 ) 3.61 1.81 1.81 !peak 642 #SUP 0.37 #QF 0.37 assign (resid 48 and name HA ) (resid 48 and name HG2 ) 2.57 0.77 0.77 !peak 650 #SUP 0.28 #QF 0.28 assign (resid 50 and name HB1 ) (resid 52 and name HD1* ) 3.21 1.41 1.41 !peak 664 #SUP 0.87 #QF 0.87 assign (resid 84 and name HB1 ) (resid 93 and name HG2* ) 3.86 2.06 2.06 !peak 679 #SUP 0.31 #QF 0.31 assign (resid 83 and name HB ) (resid 94 and name HB2 ) 3.09 1.29 1.29 !peak 688 #SUP 0.44 #QF 0.44 assign (resid 45 and name HG2* ) (resid 46 and name HB2 ) 3.23 1.43 1.43 !peak 690 #SUP 0.85 #QF 0.85 assign (resid 43 and name HG1* ) (resid 72 and name HE* ) 3.46 1.66 1.66 !peak 693 #SUP 0.87 #QF 0.42 assign (resid 83 and name HG1* ) (resid 94 and name HB2 ) 4.33 2.53 2.53 !peak 693 #SUP 0.87 #QF 0.42 assign (resid 83 and name HB ) (resid 94 and name HB1 ) 3.17 1.37 1.37 !peak 711 #SUP 0.73 #QF 0.73 assign (resid 29 and name HB1 ) (resid 62 and name HG ) 3.21 1.41 1.41 !peak 719 #SUP 0.88 #QF 0.27 assign (resid 49 and name HB1 ) (resid 49 and name HD1 ) 3.33 1.53 1.53 !peak 722 #SUP 0.94 #QF 0.74 assign (resid 29 and name HB1 ) (resid 62 and name HD2* ) 3.28 1.48 1.48 !peak 729 #SUP 0.95 #QF 0.95 assign (resid 29 and name HB1 ) (resid 62 and name HD1* ) 3.28 1.48 1.48 !peak 730 #SUP 0.64 #QF 0.64 assign (resid 45 and name HG2* ) (resid 46 and name HB1 ) 3.23 1.43 1.43 !peak 735 #SUP 1.00 assign (resid 35 and name HD2 ) (resid 37 and name HG2* ) 3.56 1.76 1.76 !peak 738 #SUP 0.97 #QF 0.97 assign (resid 40 and name HG2* ) (resid 86 and name HB2 ) 2.76 0.96 0.96 !peak 743 #SUP 0.70 #QF 0.70 assign (resid 40 and name HB ) (resid 86 and name HB2 ) 2.82 1.02 1.02 !peak 744 #SUP 0.61 #QF 0.61 assign (resid 25 and name HA ) (resid 28 and name HB2 ) 3.59 1.79 1.79 !peak 751 #SUP 0.76 #QF 0.76 assign (resid 43 and name HG1* ) (resid 44 and name HB2 ) 3.75 1.95 1.95 !peak 752 #SUP 0.90 #QF 0.90 assign (resid 25 and name HA ) (resid 28 and name HB1 ) 3.59 1.79 1.79 !peak 760 #SUP 0.82 #QF 0.82 assign (resid 29 and name HB2 ) (resid 30 and name HG2 ) 3.58 1.78 1.78 !peak 762 #SUP 0.88 #QF 0.88 assign (resid 29 and name HB2 ) (resid 30 and name HG1 ) 3.78 1.98 1.98 !peak 765 #SUP 0.82 #QF 0.82 assign (resid 29 and name HB2 ) (resid 39 and name HG2* ) 4.28 2.48 2.48 !peak 769 #SUP 0.99 #QF 0.99 assign (resid 30 and name HB1 ) (resid 33 and name HB1 ) 3.90 2.10 2.10 !peak 770 #SUP 0.85 #QF 0.68 assign (resid 29 and name HB2 ) (resid 39 and name HD1* ) 3.74 1.94 1.94 !peak 772 #SUP 0.97 #QF 0.97 assign (resid 29 and name HB2 ) (resid 30 and name HB2 ) 4.07 2.27 2.27 !peak 775 #SUP 1.00 #QF 0.79 assign (resid 29 and name HB2 ) (resid 62 and name HD2* ) 3.16 1.36 1.36 !peak 776 #SUP 0.94 #QF 0.25 assign (resid 35 and name HD1 ) (resid 37 and name HG2* ) 3.56 1.76 1.76 !peak 777 #SUP 0.62 #QF 0.62 assign (resid 26 and name HA ) (resid 29 and name HB2 ) 3.04 1.24 1.24 !peak 780 #SUP 0.74 #QF 0.74 assign (resid 29 and name HB2 ) (resid 62 and name HD1* ) 3.16 1.36 1.36 !peak 781 #SUP 0.69 #QF 0.69 assign (resid 69 and name HA ) (resid 69 and name HD1* ) 3.14 1.34 1.34 !peak 792 #SUP 0.94 #QF 0.94 assign (resid 69 and name HA ) (resid 72 and name HB2 ) 3.40 1.60 1.60 !peak 799 #SUP 0.95 #QF 0.95 assign (resid 26 and name HA ) (resid 66 and name HD2* ) 3.61 1.81 1.81 !peak 810 #SUP 0.74 #QF 0.74 assign (resid 70 and name HA ) (resid 73 and name HD1* ) 3.21 1.41 1.41 !peak 811 #SUP 0.91 #QF 0.91 assign (resid 18 and name HG2* ) (resid 70 and name HA ) 3.55 1.75 1.74 !peak 814 #SUP 0.83 #QF 0.83 assign (resid 70 and name HA ) (resid 73 and name HB ) 3.75 1.95 1.95 !peak 815 #SUP 0.62 #QF 0.62 assign (resid 59 and name HA ) (resid 59 and name HD2 ) 3.84 2.04 2.04 !peak 826 #SUP 0.91 #QF 0.86 assign (resid 59 and name HA ) (resid 59 and name HD1 ) 3.84 2.04 2.04 !peak 826 #SUP 0.91 #QF 0.86 assign (resid 45 and name HD1* ) (resid 73 and name HA ) 2.86 1.06 1.06 !peak 838 #SUP 0.38 #QF 0.38 assign (resid 59 and name HA ) (resid 62 and name HB1 ) 3.98 2.18 2.18 !peak 839 #SUP 0.78 #QF 0.29 assign (resid 45 and name HG2* ) (resid 73 and name HA ) 3.72 1.92 1.92 !peak 840 #SUP 0.98 #QF 0.61 assign (resid 72 and name HA ) (resid 73 and name HA ) 3.75 1.95 1.95 !peak 847 #SUP 0.59 #QF 0.59 assign (resid 27 and name HA ) (resid 27 and name HG2 ) 3.06 1.26 1.26 !peak 858 #SUP 0.99 #QF 0.99 assign (resid 27 and name HA ) (resid 27 and name HG1 ) 3.06 1.26 1.26 !peak 859 #SUP 0.99 #QF 0.99 assign (resid 27 and name HA ) (resid 30 and name HB2 ) 3.02 1.22 1.22 !peak 861 #SUP 0.52 #QF 0.52 assign (resid 27 and name HA ) (resid 30 and name HG1 ) 3.35 1.55 1.55 !peak 862 #SUP 0.66 #QF 0.66 assign (resid 57 and name HD1* ) (resid 62 and name HA ) 3.25 1.45 1.45 !peak 868 #SUP 0.93 #QF 0.93 assign (resid 62 and name HA ) (resid 62 and name HD2* ) 3.27 1.47 1.47 !peak 869 #SUP 0.96 #QF 0.96 assign (resid 62 and name HA ) (resid 62 and name HD1* ) 3.27 1.47 1.47 !peak 878 #SUP 0.49 #QF 0.49 assign (resid 57 and name HB ) (resid 62 and name HA ) 3.46 1.66 1.66 !peak 879 #SUP 0.54 #QF 0.24 assign (resid 66 and name HA ) (resid 69 and name HB ) 3.61 1.81 1.81 !peak 879 #SUP 0.54 #QF 0.24 assign (resid 66 and name HA ) (resid 66 and name HG ) 3.04 1.24 1.24 !peak 883 #SUP 0.37 #QF 0.37 assign (resid 24 and name HA ) (resid 27 and name HG2 ) 3.61 1.81 1.81 !peak 892 #SUP 0.89 #QF 0.89 assign (resid 24 and name HA ) (resid 25 and name HA ) 3.70 1.90 1.90 !peak 893 #SUP 0.41 #QF 0.41 assign (resid 64 and name HA ) (resid 64 and name HE* ) 3.03 1.23 1.23 !peak 900 #SUP 0.92 #QF 0.49 assign (resid 30 and name HA ) (resid 59 and name HA ) 3.91 2.11 2.11 !peak 905 #SUP 0.93 #QF 0.49 assign (resid 59 and name HA ) (resid 60 and name HA ) 4.27 2.47 2.47 !peak 905 #SUP 0.93 #QF 0.49 assign (resid 30 and name HA ) (resid 62 and name HD2* ) 3.79 1.99 1.99 !peak 906 #SUP 0.99 #QF 0.99 assign (resid 67 and name HA ) (resid 70 and name HB2 ) 3.78 1.98 1.97 !peak 908 #SUP 0.76 #QF 0.76 assign (resid 57 and name HB ) (resid 61 and name HA ) 3.90 2.10 2.10 !peak 912 #SUP 0.76 #QF 0.76 assign (resid 58 and name HB1 ) (resid 59 and name HE* ) 3.79 1.99 1.99 !peak 915 #SUP 0.89 #QF 0.24 assign (resid 59 and name HE* ) (resid 60 and name HA ) 3.93 2.13 2.13 !peak 915 #SUP 0.89 #QF 0.24 assign (resid 52 and name HG2* ) (resid 65 and name HA ) 3.22 1.42 1.42 !peak 925 #SUP 0.83 #QF 0.83 assign (resid 65 and name HA ) (resid 65 and name HG ) 3.18 1.38 1.38 !peak 928 #SUP 0.98 #QF 0.98 assign (resid 32 and name HA ) (resid 32 and name HG ) 3.18 1.38 1.38 !peak 930 #SUP 0.35 #QF 0.35 assign (resid 65 and name HA ) (resid 68 and name HG1 ) 3.25 1.45 1.45 !peak 935 #SUP 0.95 #QF 0.37 assign (resid 32 and name HD2* ) (resid 87 and name HB2 ) 4.05 2.25 2.25 !peak 937 #SUP 0.94 #QF 0.94 assign (resid 57 and name HA ) (resid 57 and name HG2* ) 2.69 0.89 0.89 !peak 959 #SUP 0.96 #QF 0.96 assign (resid 31 and name HA ) (resid 31 and name HG2 ) 3.13 1.33 1.33 !peak 962 #SUP 0.95 #QF 0.95 assign (resid 31 and name HA ) (resid 31 and name HG1 ) 3.13 1.33 1.33 !peak 963 #SUP 0.84 #QF 0.84 assign (resid 57 and name HA ) (resid 57 and name HD1* ) 2.98 1.18 1.18 !peak 964 #SUP 0.87 #QF 0.87 assign (resid 35 and name HA ) (resid 35 and name HG1 ) 3.32 1.52 1.52 !peak 973 #SUP 0.89 #QF 0.89 assign (resid 32 and name HB1 ) (resid 33 and name HA ) 3.99 2.19 2.19 !peak 975 #SUP 0.82 #QF 0.69 assign (resid 29 and name HA ) (resid 39 and name HD1* ) 3.26 1.46 1.46 !peak 980 #SUP 0.91 #QF 0.84 assign (resid 97 and name HA ) (resid 97 and name HD2 ) 4.10 2.30 2.30 !peak 981 #SUP 0.95 #QF 0.80 assign (resid 97 and name HA ) (resid 97 and name HD1 ) 4.10 2.30 2.30 !peak 981 #SUP 0.95 #QF 0.80 assign (resid 33 and name HA ) (resid 34 and name HA ) 3.80 2.00 2.00 !peak 983 #SUP 0.83 #QF 0.83 assign (resid 52 and name HA ) (resid 52 and name HD1* ) 3.27 1.47 1.47 !peak 991 #SUP 0.99 #QF 0.99 assign (resid 52 and name HA ) (resid 52 and name HG2* ) 2.60 0.80 0.80 !peak 994 #SUP 0.98 #QF 0.98 assign (resid 23 and name HA ) (resid 26 and name HB2 ) 3.23 1.43 1.43 !peak 997 #SUP 0.64 #QF 0.64 assign (resid 22 and name HB2 ) (resid 23 and name HA ) 3.40 1.60 1.60 !peak 1001 #SUP 0.67 #QF 0.67 assign (resid 22 and name HB1 ) (resid 23 and name HA ) 3.57 1.77 1.77 !peak 1002 #SUP 0.81 #QF 0.81 assign (resid 23 and name HA ) (resid 26 and name HB1 ) 3.23 1.43 1.43 !peak 1004 #SUP 0.89 #QF 0.89 assign (resid 58 and name HB2 ) (resid 61 and name HA ) 3.83 2.03 2.03 !peak 1005 #SUP 0.78 #QF 0.78 assign (resid 38 and name HA ) (resid 39 and name HB ) 3.76 1.96 1.96 !peak 1008 #SUP 0.79 #QF 0.79 assign (resid 38 and name HA ) (resid 38 and name HG1 ) 3.30 1.50 1.50 !peak 1012 #SUP 0.86 #QF 0.86 assign (resid 37 and name HA ) (resid 37 and name HB ) 2.56 0.76 0.76 !peak 1014 #SUP 0.93 #QF 0.93 assign (resid 11 and name HA ) (resid 11 and name HD1* ) 3.71 1.91 1.91 !peak 1024 #SUP 0.96 #QF 0.88 assign (resid 11 and name HA ) (resid 11 and name HD2* ) 3.71 1.91 1.91 !peak 1024 #SUP 0.96 #QF 0.88 assign (resid 37 and name HA ) (resid 37 and name HG2* ) 2.77 0.97 0.97 !peak 1031 #SUP 0.97 #QF 0.97 assign (resid 37 and name HA ) (resid 55 and name HG2 ) 4.35 2.55 2.55 !peak 1038 #SUP 0.93 #QF 0.37 assign (resid 54 and name HA ) (resid 55 and name HG1 ) 4.35 2.55 2.55 !peak 1038 #SUP 0.93 #QF 0.37 assign (resid 54 and name HA ) (resid 54 and name HG2* ) 2.87 1.07 1.07 !peak 1039 #SUP 0.83 #QF 0.83 assign (resid 45 and name HG2* ) (resid 46 and name HA ) 3.21 1.41 1.41 !peak 1040 #SUP 0.94 #QF 0.94 assign (resid 53 and name HB2 ) (resid 54 and name HA ) 3.96 2.16 2.16 !peak 1042 #SUP 0.83 #QF 0.51 assign (resid 45 and name HA ) (resid 45 and name HD1* ) 3.35 1.55 1.55 !peak 1058 #SUP 0.79 #QF 0.79 assign (resid 43 and name HA ) (resid 44 and name HA ) 3.89 2.09 2.09 !peak 1059 #SUP 1.00 #QF 0.98 assign (resid 44 and name HA ) (resid 45 and name HA ) 4.11 2.31 2.31 !peak 1059 #SUP 1.00 #QF 0.98 assign (resid 45 and name HA ) (resid 45 and name HG2* ) 2.76 0.96 0.96 !peak 1061 #SUP 0.96 #QF 0.96 assign (resid 45 and name HA ) (resid 45 and name HG11 ) 3.17 1.37 1.37 !peak 1062 #SUP 0.88 #QF 0.88 assign (resid 45 and name HA ) (resid 45 and name HG12 ) 3.15 1.35 1.35 !peak 1064 #SUP 0.85 #QF 0.85 assign (resid 43 and name HA ) (resid 43 and name HG1* ) 2.74 0.94 0.94 !peak 1065 #SUP 0.97 #QF 0.90 assign (resid 43 and name HA ) (resid 43 and name HG2* ) 2.82 1.02 1.02 !peak 1065 #SUP 0.97 #QF 0.90 assign (resid 39 and name HA ) (resid 40 and name HG2* ) 3.31 1.51 1.51 !peak 1067 #SUP 0.92 #QF 0.78 assign (resid 39 and name HA ) (resid 39 and name HG2* ) 2.95 1.15 1.15 !peak 1068 #SUP 0.94 #QF 0.94 assign (resid 45 and name HG11 ) (resid 81 and name HA ) 3.62 1.82 1.82 !peak 1074 #SUP 0.54 #QF 0.54 assign (resid 39 and name HG2* ) (resid 40 and name HA ) 3.44 1.64 1.64 !peak 1083 #SUP 0.73 #QF 0.73 assign (resid 40 and name HA ) (resid 53 and name HB2 ) 4.09 2.29 2.29 !peak 1085 #SUP 0.91 #QF 0.91 assign (resid 37 and name HG2* ) (resid 87 and name HA ) 3.30 1.50 1.50 !peak 1086 #SUP 0.61 #QF 0.61 assign (resid 40 and name HA ) (resid 40 and name HG2* ) 2.55 0.75 0.75 !peak 1089 #SUP 0.91 #QF 0.91 assign (resid 39 and name HG2* ) (resid 87 and name HA ) 3.87 2.07 2.07 !peak 1090 #SUP 0.99 #QF 0.95 assign (resid 50 and name HA ) (resid 52 and name HD1* ) 4.30 2.50 2.50 !peak 1095 #SUP 0.59 #QF 0.59 assign (resid 49 and name HA ) (resid 49 and name HD2 ) 4.29 2.49 2.49 !peak 1097 #SUP 0.50 #QF 0.27 assign (resid 49 and name HA ) (resid 49 and name HD1 ) 4.29 2.49 2.49 !peak 1097 #SUP 0.50 #QF 0.27 assign (resid 41 and name HA ) (resid 41 and name HG2* ) 2.77 0.97 0.97 !peak 1100 #SUP 0.51 #QF 0.51 assign (resid 44 and name HA ) (resid 49 and name HA ) 3.02 1.22 1.22 !peak 1101 #SUP 0.79 #QF 0.79 assign (resid 49 and name HA ) (resid 49 and name HG1 ) 3.26 1.46 1.46 !peak 1102 #SUP 0.94 #QF 0.94 assign (resid 49 and name HA ) (resid 49 and name HG2 ) 3.28 1.48 1.48 !peak 1109 #SUP 0.98 #QF 0.98 assign (resid 41 and name HA ) (resid 42 and name HA ) 3.56 1.76 1.76 !peak 1110 #SUP 0.65 #QF 0.65 assign (resid 41 and name HG2* ) (resid 53 and name HA ) 3.63 1.83 1.83 !peak 1117 #SUP 0.24 #QF 0.24 assign (resid 83 and name HA ) (resid 83 and name HG1* ) 2.83 1.03 1.03 !peak 1121 #SUP 0.94 #QF 0.51 assign (resid 83 and name HA ) (resid 83 and name HG2* ) 2.83 1.03 1.03 !peak 1121 #SUP 0.94 #QF 0.51 assign (resid 53 and name HA ) (resid 53 and name HD2 ) 4.10 2.30 2.30 !peak 1125 #SUP 1.00 #QF 0.96 assign (resid 53 and name HA ) (resid 53 and name HD1 ) 4.10 2.30 2.30 !peak 1125 #SUP 1.00 #QF 0.96 assign (resid 44 and name HB2 ) (resid 83 and name HA ) 3.79 1.99 1.99 !peak 1126 #SUP 0.53 #QF 0.53 assign (resid 42 and name HA ) (resid 42 and name HG2 ) 3.22 1.42 1.42 !peak 1130 #SUP 0.99 #QF 0.99 assign (resid 42 and name HA ) (resid 42 and name HG1 ) 3.22 1.42 1.42 !peak 1133 #SUP 0.88 #QF 0.88 assign (resid 42 and name HA ) (resid 50 and name HB1 ) 3.61 1.81 1.81 !peak 1136 #SUP 0.95 #QF 0.73 assign (resid 50 and name HB1 ) (resid 51 and name HA ) 3.96 2.16 2.16 !peak 1136 #SUP 0.95 #QF 0.73 assign (resid 51 and name HA ) (resid 51 and name HG2 ) 3.06 1.26 1.26 !peak 1138 #SUP 0.72 #QF 0.72 assign (resid 42 and name HA ) (resid 52 and name HB ) 4.18 2.38 2.38 !peak 1142 #SUP 0.93 #QF 0.72 assign (resid 51 and name HA ) (resid 52 and name HB ) 4.35 2.55 2.55 !peak 1142 #SUP 0.93 #QF 0.72 assign (resid 42 and name HA ) (resid 52 and name HD1* ) 3.58 1.78 1.78 !peak 1143 #SUP 0.57 #QF 0.57 assign (resid 43 and name HG1* ) (resid 44 and name HA ) 3.28 1.48 1.48 !peak 1150 #SUP 0.46 #QF 0.46 assign (resid 86 and name HA ) (resid 91 and name HA ) 2.92 1.12 1.12 !peak 1163 #SUP 0.95 #QF 0.95 assign (resid 29 and name HZ ) (resid 65 and name HD1* ) 3.41 1.61 1.61 !peak 1197 #SUP 0.28 #QF 0.28 assign (resid 29 and name HZ ) (resid 39 and name HG2* ) 3.55 1.75 1.75 !peak 1198 #SUP 0.87 #QF 0.87 assign (resid 29 and name HZ ) (resid 41 and name HG2* ) 2.83 1.03 1.03 !peak 1199 #SUP 0.72 #QF 0.72 assign (resid 29 and name HZ ) (resid 65 and name HG ) 4.17 2.37 2.37 !peak 1201 #SUP 0.89 #QF 0.89 assign (resid 40 and name HB ) (resid 86 and name HD2 ) 3.07 1.27 1.27 !peak 1204 #SUP 0.69 #QF 0.69 assign (resid 43 and name HB ) (resid 44 and name HD2 ) 4.25 2.45 2.45 !peak 1213 #SUP 0.82 #QF 0.75 assign (resid 44 and name HA ) (resid 44 and name HD2 ) 3.53 1.73 1.73 !peak 1216 #SUP 0.99 #QF 0.99 assign (resid 90 and name HB2 ) (resid 90 and name HE21 ) 3.74 1.94 1.94 !peak 1221 #SUP 1.00 #QF 0.92 assign (resid 87 and name HB2 ) (resid 92 and name HZ3 ) 3.33 1.53 1.53 !peak 1224 #SUP 0.94 #QF 0.94 assign (resid 90 and name HB1 ) (resid 90 and name HE21 ) 3.85 2.05 2.05 !peak 1225 #SUP 0.99 #QF 0.90 assign (resid 90 and name HB1 ) (resid 92 and name HZ3 ) 4.02 2.22 2.22 !peak 1225 #SUP 0.99 #QF 0.90 assign (resid 29 and name HE1 ) (resid 66 and name HA ) 3.30 1.50 1.50 !peak 1227 #SUP 0.80 #QF 0.80 assign (resid 87 and name HB1 ) (resid 92 and name HZ3 ) 3.33 1.53 1.53 !peak 1228 #SUP 0.64 #QF 0.64 assign (resid 85 and name HB ) (resid 92 and name HZ3 ) 3.62 1.82 1.82 !peak 1229 #SUP 0.72 #QF 0.72 assign (resid 29 and name HE1 ) (resid 65 and name HG ) 3.90 2.10 2.10 !peak 1230 #SUP 0.93 #QF 0.93 assign (resid 29 and name HE1 ) (resid 41 and name HG2* ) 3.21 1.41 1.41 !peak 1233 #SUP 0.50 #QF 0.50 assign (resid 29 and name HD2 ) (resid 39 and name HG2* ) 2.99 1.19 1.19 !peak 1234 #SUP 0.94 #QF 0.94 assign (resid 32 and name HD2* ) (resid 92 and name HZ3 ) 3.86 2.06 2.06 !peak 1235 #SUP 0.95 #QF 0.90 assign (resid 29 and name HE1 ) (resid 66 and name HB2 ) 3.96 2.16 2.16 !peak 1238 #SUP 0.96 #QF 0.96 assign (resid 29 and name HE1 ) (resid 41 and name HG1* ) 3.21 1.41 1.41 !peak 1239 #SUP 0.48 #QF 0.48 assign (resid 29 and name HE1 ) (resid 66 and name HG ) 3.59 1.79 1.79 !peak 1240 #SUP 0.71 #QF 0.71 assign (resid 26 and name HA ) (resid 29 and name HE1 ) 3.65 1.85 1.85 !peak 1241 #SUP 0.93 #QF 0.93 assign (resid 29 and name HD2 ) (resid 32 and name HB2 ) 3.67 1.87 1.87 !peak 1243 #SUP 0.94 #QF 0.94 assign (resid 29 and name HD2 ) (resid 39 and name HD1* ) 3.07 1.27 1.27 !peak 1244 #SUP 0.98 #QF 0.98 assign (resid 29 and name HE1 ) (resid 66 and name HB1 ) 3.96 2.16 2.16 !peak 1248 #SUP 0.97 #QF 0.97 assign (resid 29 and name HE1 ) (resid 65 and name HB2 ) 3.63 1.83 1.83 !peak 1249 #SUP 0.96 #QF 0.86 assign (resid 29 and name HA ) (resid 29 and name HD2 ) 2.86 1.06 1.06 !peak 1251 #SUP 0.81 #QF 0.81 assign (resid 29 and name HD2 ) (resid 32 and name HB1 ) 4.35 2.55 2.55 !peak 1255 #SUP 0.62 #QF 0.30 assign (resid 46 and name HD21 ) (resid 80 and name HB2 ) 3.92 2.12 2.12 !peak 1259 #SUP 0.74 #QF 0.74 assign (resid 32 and name HD1* ) (resid 92 and name HH2 ) 3.69 1.89 1.89 !peak 1268 #SUP 0.98 #QF 0.98 assign (resid 28 and name HD2* ) (resid 92 and name HH2 ) 3.37 1.57 1.57 !peak 1269 #SUP 0.76 #QF 0.76 assign (resid 90 and name HB2 ) (resid 92 and name HH2 ) 3.27 1.47 1.47 !peak 1270 #SUP 1.00 assign (resid 90 and name HB1 ) (resid 92 and name HH2 ) 3.37 1.57 1.57 !peak 1271 #SUP 0.78 #QF 0.78 assign (resid 28 and name HD1* ) (resid 92 and name HH2 ) 3.37 1.57 1.57 !peak 1273 #SUP 0.54 #QF 0.54 assign (resid 39 and name HG2* ) (resid 92 and name HH2 ) 4.06 2.26 2.26 !peak 1276 #SUP 0.62 #QF 0.62 assign (resid 83 and name HB ) (resid 94 and name HD2 ) 3.32 1.52 1.52 !peak 1284 #SUP 0.92 #QF 0.92 assign (resid 90 and name HB1 ) (resid 92 and name HZ2 ) 3.61 1.81 1.81 !peak 1293 #SUP 0.75 #QF 0.75 assign (resid 90 and name HB2 ) (resid 92 and name HZ2 ) 3.57 1.77 1.77 !peak 1295 #SUP 1.00 assign (resid 83 and name HA ) (resid 84 and name HD21 ) 3.60 1.80 1.80 !peak 1300 #SUP 0.61 #QF 0.61 assign (resid 45 and name HD1* ) (resid 72 and name HN ) 3.57 1.77 1.77 !peak 1308 #SUP 0.72 #QF 0.72 assign (resid 72 and name HN ) (resid 72 and name HE* ) 3.62 1.82 1.82 !peak 1315 #SUP 0.70 #QF 0.70 assign (resid 31 and name HN ) (resid 31 and name HG1 ) 3.54 1.74 1.74 !peak 1328 #SUP 0.50 #QF 0.50 assign (resid 64 and name HN ) (resid 65 and name HD2* ) 3.93 2.13 2.13 !peak 1332 #SUP 0.94 #QF 0.91 assign (resid 34 and name HN ) (resid 34 and name HB1 ) 2.87 1.07 1.07 !peak 1333 #SUP 0.97 #QF 0.58 assign (resid 31 and name HN ) (resid 32 and name HG ) 3.68 1.88 1.88 !peak 1341 #SUP 0.84 #QF 0.84 assign (resid 31 and name HN ) (resid 31 and name HG2 ) 3.54 1.74 1.74 !peak 1343 #SUP 0.94 #QF 0.94 assign (resid 64 and name HN ) (resid 64 and name HE* ) 3.53 1.73 1.73 !peak 1346 #SUP 0.70 #QF 0.70 assign (resid 31 and name HN ) (resid 32 and name HD2* ) 4.35 2.55 2.55 !peak 1347 #SUP 0.97 #QF 0.97 assign (resid 84 and name HD22 ) (resid 93 and name HG2* ) 3.50 1.70 1.70 !peak 1349 #SUP 0.63 #QF 0.63 assign (resid 35 and name HN ) (resid 36 and name HA2 ) 3.71 1.91 1.91 !peak 1352 #SUP 0.90 #QF 0.90 assign (resid 35 and name HN ) (resid 36 and name HA1 ) 3.71 1.91 1.91 !peak 1354 #SUP 0.96 #QF 0.96 assign (resid 21 and name HN ) (resid 22 and name HG ) 3.25 1.45 1.45 !peak 1355 #SUP 0.94 #QF 0.28 assign (resid 32 and name HA ) (resid 35 and name HN ) 3.41 1.61 1.61 !peak 1359 #SUP 0.59 #QF 0.59 assign (resid 62 and name HB2 ) (resid 63 and name HN ) 3.47 1.67 1.67 !peak 1360 #SUP 0.95 #QF 0.95 assign (resid 62 and name HG ) (resid 63 and name HN ) 3.57 1.77 1.77 !peak 1362 #SUP 0.97 #QF 0.97 assign (resid 63 and name HN ) (resid 63 and name HE* ) 3.64 1.84 1.84 !peak 1367 #SUP 0.48 #QF 0.48 assign (resid 56 and name HA ) (resid 56 and name HD21 ) 3.25 1.45 1.45 !peak 1375 #SUP 0.69 #QF 0.69 assign (resid 32 and name HA ) (resid 36 and name HN ) 3.78 1.98 1.97 !peak 1377 #SUP 0.29 #QF 0.29 assign (resid 36 and name HN ) (resid 57 and name HD1* ) 4.35 2.55 2.55 !peak 1386 #SUP 0.86 #QF 0.58 assign (resid 57 and name HD1* ) (resid 61 and name HN ) 4.35 2.55 2.55 !peak 1386 #SUP 0.86 #QF 0.58 assign (resid 27 and name HA ) (resid 27 and name HE21 ) 3.18 1.38 1.38 !peak 1389 #SUP 0.99 #QF 0.98 assign (resid 23 and name HN ) (resid 23 and name HB2 ) 2.61 0.81 0.81 !peak 1395 #SUP 0.75 #QF 0.75 assign (resid 22 and name HG ) (resid 23 and name HN ) 3.90 2.10 2.10 !peak 1396 #SUP 0.89 #QF 0.86 assign (resid 66 and name HG ) (resid 67 and name HN ) 4.04 2.24 2.24 !peak 1396 #SUP 0.89 #QF 0.86 assign (resid 66 and name HB2 ) (resid 67 and name HN ) 3.37 1.57 1.57 !peak 1403 #SUP 0.93 #QF 0.93 assign (resid 18 and name HG2* ) (resid 73 and name HN ) 3.86 2.06 2.06 !peak 1414 #SUP 0.92 #QF 0.92 assign (resid 73 and name HN ) (resid 73 and name HB ) 3.09 1.29 1.29 !peak 1420 #SUP 0.78 #QF 0.78 assign (resid 73 and name HN ) (resid 73 and name HD1* ) 3.30 1.50 1.50 !peak 1421 #SUP 0.77 #QF 0.77 assign (resid 72 and name HB2 ) (resid 73 and name HN ) 3.30 1.50 1.50 !peak 1427 #SUP 0.67 #QF 0.67 assign (resid 45 and name HD1* ) (resid 73 and name HN ) 3.45 1.65 1.65 !peak 1428 #SUP 0.79 #QF 0.65 assign (resid 69 and name HG2* ) (resid 73 and name HN ) 3.36 1.56 1.56 !peak 1429 #SUP 0.50 #QF 0.50 assign (resid 66 and name HN ) (resid 66 and name HG ) 2.91 1.11 1.11 !peak 1440 #SUP 0.61 #QF 0.61 assign (resid 65 and name HB1 ) (resid 66 and name HN ) 3.31 1.51 1.51 !peak 1449 #SUP 0.80 #QF 0.71 assign (resid 65 and name HN ) (resid 65 and name HG ) 3.25 1.45 1.45 !peak 1452 #SUP 0.94 #QF 0.94 assign (resid 57 and name HD1* ) (resid 58 and name HN ) 3.41 1.61 1.61 !peak 1457 #SUP 0.92 #QF 0.92 assign (resid 97 and name HN ) (resid 97 and name HE* ) 3.61 1.81 1.81 !peak 1458 #SUP 0.28 #QF 0.28 assign (resid 57 and name HG2* ) (resid 62 and name HN ) 3.40 1.60 1.60 !peak 1460 #SUP 0.39 #QF 0.39 assign (resid 22 and name HD1* ) (resid 68 and name HN ) 4.35 2.55 2.55 !peak 1468 #SUP 0.56 #QF 0.30 assign (resid 22 and name HD1* ) (resid 69 and name HN ) 4.35 2.55 2.55 !peak 1468 #SUP 0.56 #QF 0.30 assign (resid 52 and name HD1* ) (resid 68 and name HN ) 4.10 2.30 2.30 !peak 1470 #SUP 0.93 #QF 0.84 assign (resid 52 and name HD1* ) (resid 69 and name HN ) 4.34 2.54 2.54 !peak 1470 #SUP 0.93 #QF 0.84 assign (resid 43 and name HG2* ) (resid 69 and name HN ) 3.74 1.94 1.94 !peak 1471 #SUP 0.69 #QF 0.69 assign (resid 68 and name HN ) (resid 68 and name HD2 ) 3.76 1.96 1.96 !peak 1472 #SUP 0.99 #QF 0.99 assign (resid 73 and name HG11 ) (resid 76 and name HN ) 4.35 2.55 2.55 !peak 1473 #SUP 0.75 #QF 0.64 assign (resid 73 and name HG11 ) (resid 77 and name HN ) 4.35 2.55 2.55 !peak 1473 #SUP 0.75 #QF 0.64 assign (resid 66 and name HA ) (resid 69 and name HN ) 3.10 1.30 1.30 !peak 1475 #SUP 0.72 #QF 0.72 assign (resid 62 and name HN ) (resid 62 and name HD2* ) 3.53 1.73 1.73 !peak 1477 #SUP 0.88 #QF 0.88 assign (resid 62 and name HN ) (resid 62 and name HD1* ) 3.53 1.73 1.73 !peak 1479 #SUP 0.76 #QF 0.76 assign (resid 75 and name HD2 ) (resid 76 and name HN ) 4.35 2.55 2.55 !peak 1481 #SUP 0.91 #QF 0.79 assign (resid 75 and name HD1 ) (resid 76 and name HN ) 4.35 2.55 2.55 !peak 1481 #SUP 0.91 #QF 0.79 assign (resid 68 and name HN ) (resid 68 and name HG1 ) 3.15 1.35 1.35 !peak 1482 #SUP 0.91 #QF 0.91 assign (resid 61 and name HB2 ) (resid 62 and name HN ) 3.15 1.35 1.35 !peak 1484 #SUP 0.89 #QF 0.26 assign (resid 70 and name HB1 ) (resid 71 and name HN ) 3.23 1.43 1.43 !peak 1489 #SUP 0.42 #QF 0.42 assign (resid 64 and name HE* ) (resid 68 and name HN ) 4.35 2.55 2.55 !peak 1490 #SUP 0.90 #QF 0.66 assign (resid 71 and name HN ) (resid 72 and name HE* ) 4.35 2.55 2.55 !peak 1490 #SUP 0.90 #QF 0.66 assign (resid 70 and name HB2 ) (resid 71 and name HN ) 3.44 1.64 1.64 !peak 1495 #SUP 0.50 #QF 0.50 assign (resid 18 and name HG2* ) (resid 71 and name HN ) 4.09 2.29 2.29 !peak 1497 #SUP 0.73 #QF 0.73 assign (resid 27 and name HA ) (resid 30 and name HN ) 3.29 1.49 1.49 !peak 1498 #SUP 0.51 #QF 0.51 assign (resid 30 and name HN ) (resid 30 and name HG2 ) 2.87 1.07 1.07 !peak 1504 #SUP 0.72 #QF 0.72 assign (resid 76 and name HB1 ) (resid 77 and name HN ) 3.19 1.39 1.39 !peak 1505 #SUP 0.90 #QF 0.52 assign (resid 76 and name HB1 ) (resid 78 and name HN ) 3.47 1.67 1.67 !peak 1505 #SUP 0.90 #QF 0.52 assign (resid 26 and name HA ) (resid 30 and name HN ) 3.66 1.86 1.86 !peak 1506 #SUP 0.97 #QF 0.47 assign (resid 30 and name HN ) (resid 30 and name HG1 ) 2.85 1.05 1.05 !peak 1508 #SUP 0.85 #QF 0.85 assign (resid 80 and name HN ) (resid 80 and name HG1 ) 3.75 1.95 1.95 !peak 1523 #SUP 0.98 #QF 0.98 assign (resid 80 and name HN ) (resid 80 and name HG2 ) 3.75 1.95 1.95 !peak 1528 #SUP 0.45 #QF 0.45 assign (resid 57 and name HN ) (resid 57 and name HB ) 3.07 1.27 1.27 !peak 1539 #SUP 0.73 #QF 0.73 assign (resid 71 and name HA ) (resid 74 and name HN ) 3.25 1.45 1.45 !peak 1544 #SUP 0.41 #QF 0.41 assign (resid 72 and name HA ) (resid 74 and name HN ) 3.62 1.82 1.82 !peak 1547 #SUP 0.34 #QF 0.34 assign (resid 45 and name HG12 ) (resid 81 and name HN ) 3.90 2.10 2.10 !peak 1551 #SUP 0.97 #QF 0.95 assign (resid 45 and name HN ) (resid 45 and name HG2* ) 3.25 1.45 1.45 !peak 1552 #SUP 0.99 #QF 0.99 assign (resid 45 and name HN ) (resid 45 and name HD1* ) 3.62 1.82 1.82 !peak 1553 #SUP 0.79 #QF 0.79 assign (resid 70 and name HN ) (resid 71 and name HG2 ) 3.98 2.18 2.18 !peak 1566 #SUP 0.58 #QF 0.58 assign (resid 69 and name HD1* ) (resid 70 and name HN ) 3.52 1.72 1.72 !peak 1567 #SUP 0.68 #QF 0.68 assign (resid 38 and name HN ) (resid 38 and name HG1 ) 3.37 1.57 1.57 !peak 1570 #SUP 0.98 #QF 0.98 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 3.64 1.84 1.84 !peak 1579 #SUP 0.75 #QF 0.75 assign (resid 55 and name HB2 ) (resid 56 and name HN ) 3.64 1.84 1.84 !peak 1581 #SUP 0.58 #QF 0.58 assign (resid 69 and name HG2* ) (resid 70 and name HN ) 3.29 1.49 1.49 !peak 1588 #SUP 0.95 #QF 0.95 assign (resid 70 and name HN ) (resid 70 and name HD1 ) 4.35 2.55 2.55 !peak 1590 #SUP 0.87 #QF 0.21 assign (resid 33 and name HN ) (resid 34 and name HB1 ) 4.16 2.36 2.36 !peak 1592 #SUP 0.77 #QF 0.43 assign (resid 70 and name HN ) (resid 70 and name HB1 ) 3.19 1.39 1.39 !peak 1594 #SUP 0.62 #QF 0.62 assign (resid 70 and name HN ) (resid 70 and name HB2 ) 3.20 1.40 1.40 !peak 1596 #SUP 0.54 #QF 0.54 assign (resid 32 and name HN ) (resid 39 and name HD1* ) 3.64 1.84 1.84 !peak 1600 #SUP 0.98 #QF 0.98 assign (resid 44 and name HB1 ) (resid 82 and name HN ) 3.74 1.94 1.94 !peak 1602 #SUP 0.98 #QF 0.90 assign (resid 32 and name HN ) (resid 32 and name HB2 ) 3.07 1.27 1.27 !peak 1609 #SUP 1.00 assign (resid 45 and name HG11 ) (resid 82 and name HN ) 3.36 1.56 1.56 !peak 1610 #SUP 0.90 #QF 0.31 assign (resid 31 and name HB1 ) (resid 32 and name HN ) 3.36 1.56 1.56 !peak 1612 #SUP 0.99 #QF 0.99 assign (resid 55 and name HN ) (resid 55 and name HB2 ) 3.16 1.36 1.36 !peak 1613 #SUP 0.85 #QF 0.85 assign (resid 32 and name HN ) (resid 32 and name HD1* ) 3.04 1.24 1.24 !peak 1614 #SUP 1.00 assign (resid 54 and name HG2* ) (resid 55 and name HN ) 3.39 1.59 1.59 !peak 1618 #SUP 0.78 #QF 0.78 assign (resid 31 and name HG2 ) (resid 32 and name HN ) 3.61 1.81 1.81 !peak 1619 #SUP 0.95 #QF 0.95 assign (resid 28 and name HA ) (resid 32 and name HN ) 3.56 1.76 1.76 !peak 1622 #SUP 0.47 #QF 0.47 assign (resid 51 and name HN ) (resid 51 and name HG1 ) 3.60 1.80 1.80 !peak 1623 #SUP 0.97 #QF 0.97 assign (resid 51 and name HN ) (resid 51 and name HG2 ) 3.70 1.90 1.90 !peak 1624 #SUP 0.43 #QF 0.43 assign (resid 50 and name HB1 ) (resid 51 and name HN ) 2.98 1.18 1.18 !peak 1630 #SUP 0.69 #QF 0.69 assign (resid 59 and name HE* ) (resid 60 and name HN ) 3.37 1.57 1.57 !peak 1637 #SUP 0.83 #QF 0.83 assign (resid 49 and name HN ) (resid 49 and name HG2 ) 3.59 1.79 1.79 !peak 1643 #SUP 0.95 #QF 0.51 assign (resid 49 and name HG2 ) (resid 50 and name HN ) 3.91 2.11 2.11 !peak 1643 #SUP 0.95 #QF 0.51 assign (resid 49 and name HN ) (resid 49 and name HG1 ) 3.60 1.80 1.80 !peak 1645 #SUP 0.99 #QF 0.60 assign (resid 43 and name HG1* ) (resid 50 and name HN ) 3.26 1.46 1.46 !peak 1654 #SUP 0.87 #QF 0.87 assign (resid 38 and name HG2 ) (resid 39 and name HN ) 3.64 1.84 1.84 !peak 1656 #SUP 0.81 #QF 0.81 assign (resid 38 and name HG1 ) (resid 39 and name HN ) 3.68 1.88 1.88 !peak 1661 #SUP 0.83 #QF 0.83 assign (resid 39 and name HN ) (resid 39 and name HD1* ) 3.34 1.54 1.54 !peak 1662 #SUP 0.98 #QF 0.98 assign (resid 39 and name HN ) (resid 54 and name HB ) 3.74 1.94 1.94 !peak 1666 #SUP 0.73 #QF 0.73 assign (resid 40 and name HN ) (resid 86 and name HB1 ) 3.86 2.06 2.06 !peak 1673 #SUP 0.88 #QF 0.88 assign (resid 40 and name HN ) (resid 40 and name HB ) 2.95 1.15 1.15 !peak 1675 #SUP 0.68 #QF 0.68 assign (resid 40 and name HN ) (resid 41 and name HG2* ) 3.48 1.68 1.68 !peak 1677 #SUP 0.61 #QF 0.61 assign (resid 29 and name HN ) (resid 30 and name HB2 ) 3.83 2.03 2.03 !peak 1687 #SUP 0.76 #QF 0.76 assign (resid 54 and name HN ) (resid 54 and name HB ) 3.11 1.31 1.31 !peak 1702 #SUP 0.65 #QF 0.65 assign (resid 52 and name HG2* ) (resid 54 and name HN ) 3.84 2.04 2.04 !peak 1703 #SUP 0.59 #QF 0.59 assign (resid 54 and name HN ) (resid 54 and name HG1* ) 3.16 1.36 1.36 !peak 1710 #SUP 0.94 #QF 0.94 assign (resid 86 and name HB1 ) (resid 87 and name HN ) 3.57 1.77 1.77 !peak 1713 #SUP 0.85 #QF 0.85 assign (resid 87 and name HN ) (resid 91 and name HA ) 3.39 1.59 1.59 !peak 1717 #SUP 0.99 #QF 0.99 assign (resid 39 and name HG2* ) (resid 54 and name HN ) 3.88 2.08 2.08 !peak 1719 #SUP 0.91 #QF 0.53 assign (resid 39 and name HG2* ) (resid 87 and name HN ) 4.14 2.34 2.34 !peak 1719 #SUP 0.91 #QF 0.53 assign (resid 41 and name HG2* ) (resid 54 and name HN ) 3.77 1.97 1.97 !peak 1720 #SUP 0.45 #QF 0.45 assign (resid 84 and name HA ) (resid 94 and name HN ) 3.22 1.42 1.42 !peak 1732 #SUP 0.86 #QF 0.86 assign (resid 52 and name HN ) (resid 52 and name HG11 ) 3.40 1.60 1.60 !peak 1739 #SUP 0.98 #QF 0.98 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 3.52 1.72 1.72 !peak 1741 #SUP 0.94 #QF 0.94 assign (resid 52 and name HN ) (resid 52 and name HD1* ) 3.25 1.45 1.45 !peak 1745 #SUP 0.98 #QF 0.98 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 3.52 1.72 1.72 !peak 1748 #SUP 0.98 #QF 0.98 assign (resid 52 and name HN ) (resid 52 and name HG2* ) 3.28 1.48 1.48 !peak 1749 #SUP 0.92 #QF 0.92 assign (resid 43 and name HB ) (resid 44 and name HN ) 3.75 1.95 1.95 !peak 1750 #SUP 0.84 #QF 0.33 assign (resid 41 and name HB ) (resid 52 and name HN ) 3.91 2.11 2.11 !peak 1750 #SUP 0.84 #QF 0.33 assign (resid 45 and name HB ) (resid 46 and name HN ) 3.51 1.71 1.71 !peak 1753 #SUP 0.89 #QF 0.89 assign (resid 40 and name HG1* ) (resid 41 and name HN ) 2.75 0.95 0.95 !peak 1755 #SUP 0.37 #QF 0.37 assign (resid 42 and name HN ) (resid 42 and name HG2 ) 3.72 1.92 1.92 !peak 1761 #SUP 0.83 #QF 0.83 assign (resid 42 and name HN ) (resid 84 and name HB2 ) 3.87 2.07 2.07 !peak 1768 #SUP 0.82 #QF 0.58 assign (resid 42 and name HN ) (resid 42 and name HG1 ) 3.72 1.92 1.92 !peak 1774 #SUP 0.68 #QF 0.68 assign (resid 25 and name HB1 ) (resid 29 and name HZ ) 3.58 1.78 1.78 !peak 1817 #SUP 0.81 #QF 0.59 assign (resid 29 and name HZ ) (resid 65 and name HD2* ) 3.41 1.61 1.61 !peak 1818 #SUP 0.98 #QF 0.23 assign (resid 85 and name HB ) (resid 92 and name HE3 ) 3.45 1.65 1.65 !peak 1857 #SUP 0.91 #QF 0.91 assign (resid 90 and name HB2 ) (resid 92 and name HZ3 ) 3.91 2.11 2.11 !peak 1858 #SUP 0.72 #QF 0.72 assign (resid 32 and name HD1* ) (resid 92 and name HZ3 ) 3.86 2.06 2.06 !peak 1861 #SUP 0.86 #QF 0.57 assign (resid 39 and name HG2* ) (resid 92 and name HZ3 ) 4.01 2.21 2.20 !peak 1861 #SUP 0.86 #QF 0.57 assign (resid 32 and name HG ) (resid 92 and name HH2 ) 3.96 2.16 2.16 !peak 1868 #SUP 0.99 #QF 0.95 assign (resid 32 and name HD2* ) (resid 92 and name HH2 ) 3.69 1.89 1.89 !peak 1871 #SUP 0.75 #QF 0.75 assign (resid 87 and name HB2 ) (resid 92 and name HH2 ) 3.79 1.99 1.99 !peak 1873 #SUP 0.99 #QF 0.99 assign (resid 87 and name HB1 ) (resid 92 and name HH2 ) 3.79 1.99 1.99 !peak 1874 #SUP 0.91 #QF 0.91 assign (resid 87 and name HN ) (resid 92 and name HH2 ) 3.91 2.11 2.11 !peak 1877 #SUP 1.00 assign (resid 18 and name HA ) (resid 22 and name HG ) 4.21 2.41 2.41 !peak 1901 #SUP 0.64 #QF 0.64 assign (resid 18 and name HA ) (resid 18 and name HG2* ) 3.00 1.20 1.20 !peak 1903 #SUP 0.98 #QF 0.98 assign (resid 22 and name HA ) (resid 22 and name HG ) 3.21 1.41 1.41 !peak 1908 #SUP 0.66 #QF 0.66 assign (resid 23 and name HA ) (resid 23 and name HG1 ) 3.28 1.48 1.48 !peak 1916 #SUP 0.98 #QF 0.98 assign (resid 23 and name HA ) (resid 23 and name HG2 ) 3.28 1.48 1.48 !peak 1919 #SUP 0.93 #QF 0.93 assign (resid 23 and name HG2 ) (resid 27 and name HE21 ) 3.11 1.31 1.31 !peak 1924 #SUP 0.95 #QF 0.95 assign (resid 25 and name HA ) (resid 25 and name HD2* ) 3.32 1.52 1.52 !peak 1936 #SUP 0.74 #QF 0.74 assign (resid 25 and name HA ) (resid 25 and name HD1* ) 3.32 1.52 1.52 !peak 1937 #SUP 0.58 #QF 0.58 assign (resid 25 and name HA ) (resid 25 and name HG ) 3.35 1.55 1.55 !peak 1938 #SUP 0.39 #QF 0.39 assign (resid 32 and name HB1 ) (resid 34 and name HN ) 3.94 2.14 2.14 !peak 1947 #SUP 0.34 #QF 0.34 assign (resid 25 and name HB2 ) (resid 26 and name HN ) 3.63 1.83 1.83 !peak 1953 #SUP 0.78 #QF 0.78 assign (resid 32 and name HB1 ) (resid 92 and name HH2 ) 4.29 2.49 2.49 !peak 1954 #SUP 0.71 #QF 0.71 assign (resid 25 and name HB2 ) (resid 29 and name HE1 ) 3.73 1.93 1.93 !peak 1955 #SUP 0.88 #QF 0.88 assign (resid 25 and name HB2 ) (resid 29 and name HN ) 4.35 2.55 2.55 !peak 1956 #SUP 0.57 #QF 0.57 assign (resid 25 and name HB1 ) (resid 29 and name HE1 ) 3.65 1.85 1.85 !peak 1957 #SUP 0.54 #QF 0.54 assign (resid 25 and name HD1* ) (resid 83 and name HB ) 3.80 2.00 2.00 !peak 1967 #SUP 0.86 #QF 0.86 assign (resid 25 and name HD2* ) (resid 83 and name HB ) 3.80 2.00 2.00 !peak 1975 #SUP 0.72 #QF 0.72 assign (resid 26 and name HB1 ) (resid 66 and name HD1* ) 4.03 2.23 2.23 !peak 1991 #SUP 0.89 #QF 0.37 assign (resid 29 and name HA ) (resid 32 and name HB2 ) 2.99 1.19 1.19 !peak 1999 #SUP 0.92 #QF 0.92 assign (resid 29 and name HA ) (resid 32 and name HB1 ) 3.64 1.84 1.84 !peak 2000 #SUP 0.81 #QF 0.81 assign (resid 26 and name HA ) (resid 29 and name HB1 ) 3.73 1.93 1.93 !peak 2002 #SUP 0.90 #QF 0.90 assign (resid 30 and name HA ) (resid 30 and name HG1 ) 3.13 1.33 1.33 !peak 2005 #SUP 0.84 #QF 0.84 assign (resid 30 and name HA ) (resid 30 and name HG2 ) 2.64 0.84 0.84 !peak 2006 #SUP 0.87 #QF 0.87 assign (resid 30 and name HA ) (resid 33 and name HN ) 3.22 1.42 1.42 !peak 2007 #SUP 0.53 #QF 0.53 assign (resid 30 and name HA ) (resid 33 and name HB1 ) 3.18 1.38 1.38 !peak 2010 #SUP 0.96 #QF 0.91 assign (resid 30 and name HA ) (resid 33 and name HB2 ) 3.02 1.22 1.22 !peak 2011 #SUP 0.64 #QF 0.64 assign (resid 30 and name HA ) (resid 62 and name HD1* ) 3.79 1.99 1.99 !peak 2012 #SUP 0.65 #QF 0.65 assign (resid 32 and name HB2 ) (resid 32 and name HD2* ) 2.94 1.14 1.14 !peak 2023 #SUP 0.94 #QF 0.94 assign (resid 28 and name HG ) (resid 32 and name HG ) 3.84 2.04 2.04 !peak 2028 #SUP 0.79 #QF 0.79 assign (resid 38 and name HB1 ) (resid 55 and name HG2 ) 3.45 1.65 1.65 !peak 2045 #SUP 0.99 #QF 0.79 assign (resid 32 and name HB1 ) (resid 35 and name HG2 ) 3.86 2.06 2.06 !peak 2050 #SUP 0.90 #QF 0.59 assign (resid 32 and name HB1 ) (resid 39 and name HG11 ) 4.12 2.32 2.32 !peak 2050 #SUP 0.90 #QF 0.59 assign (resid 32 and name HB1 ) (resid 35 and name HG1 ) 3.86 2.06 2.06 !peak 2053 #SUP 0.51 #QF 0.51 assign (resid 32 and name HB2 ) (resid 39 and name HG12 ) 3.22 1.42 1.42 !peak 2054 #SUP 0.97 #QF 0.97 assign (resid 32 and name HB1 ) (resid 39 and name HG12 ) 3.64 1.84 1.84 !peak 2055 #SUP 1.00 assign (resid 39 and name HG2* ) (resid 39 and name HG11 ) 2.95 1.15 1.15 !peak 2057 #SUP 0.99 #QF 0.99 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 3.72 1.92 1.92 !peak 2062 #SUP 0.63 #QF 0.63 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 3.72 1.92 1.92 !peak 2066 #SUP 0.87 #QF 0.87 assign (resid 43 and name HG1* ) (resid 72 and name HD2 ) 3.59 1.79 1.79 !peak 2075 #SUP 0.98 #QF 0.92 assign (resid 43 and name HG1* ) (resid 72 and name HD1 ) 3.98 2.18 2.18 !peak 2075 #SUP 0.98 #QF 0.92 assign (resid 45 and name HB ) (resid 76 and name HG2 ) 4.35 2.55 2.55 !peak 2079 #SUP 0.98 #QF 0.82 assign (resid 45 and name HB ) (resid 76 and name HG1 ) 4.35 2.55 2.55 !peak 2079 #SUP 0.98 #QF 0.82 assign (resid 51 and name HA ) (resid 51 and name HG1 ) 2.82 1.02 1.02 !peak 2085 #SUP 0.71 #QF 0.71 assign (resid 52 and name HD1* ) (resid 68 and name HB2 ) 3.29 1.49 1.49 !peak 2098 #SUP 0.96 #QF 0.79 assign (resid 52 and name HD1* ) (resid 68 and name HB1 ) 3.29 1.49 1.49 !peak 2098 #SUP 0.96 #QF 0.79 assign (resid 54 and name HB ) (resid 57 and name HD1* ) 3.29 1.49 1.49 !peak 2109 #SUP 0.73 #QF 0.73 assign (resid 39 and name HD1* ) (resid 54 and name HB ) 3.66 1.86 1.86 !peak 2110 #SUP 1.00 assign (resid 55 and name HA ) (resid 57 and name HD1* ) 3.71 1.91 1.91 !peak 2113 #SUP 0.41 #QF 0.41 assign (resid 33 and name HA ) (resid 57 and name HD1* ) 3.49 1.69 1.69 !peak 2117 #SUP 0.90 #QF 0.90 assign (resid 57 and name HB ) (resid 57 and name HD1* ) 2.71 0.91 0.91 !peak 2119 #SUP 0.90 #QF 0.90 assign (resid 57 and name HD1* ) (resid 62 and name HG ) 3.17 1.37 1.37 !peak 2120 #SUP 0.40 #QF 0.40 assign (resid 33 and name HN ) (resid 57 and name HD1* ) 4.25 2.45 2.45 !peak 2122 #SUP 0.47 #QF 0.47 assign (resid 57 and name HG2* ) (resid 57 and name HG12 ) 2.95 1.15 1.15 !peak 2123 #SUP 0.88 #QF 0.26 assign (resid 57 and name HG2* ) (resid 58 and name HN ) 3.49 1.69 1.69 !peak 2126 #SUP 0.98 #QF 0.98 assign (resid 58 and name HN ) (resid 58 and name HB2 ) 3.06 1.26 1.26 !peak 2129 #SUP 0.62 #QF 0.62 assign (resid 58 and name HB2 ) (resid 59 and name HN ) 3.35 1.55 1.55 !peak 2130 #SUP 0.83 #QF 0.83 assign (resid 58 and name HB1 ) (resid 59 and name HN ) 3.92 2.12 2.12 !peak 2131 #SUP 0.75 #QF 0.75 assign (resid 58 and name HB1 ) (resid 61 and name HN ) 3.60 1.80 1.80 !peak 2132 #SUP 0.87 #QF 0.87 assign (resid 58 and name HB2 ) (resid 61 and name HN ) 3.36 1.56 1.56 !peak 2133 #SUP 0.91 #QF 0.91 assign (resid 59 and name HB2 ) (resid 59 and name HE* ) 3.91 2.11 2.11 !peak 2139 #SUP 1.00 #QF 0.98 assign (resid 59 and name HB1 ) (resid 59 and name HE* ) 3.91 2.11 2.11 !peak 2139 #SUP 1.00 #QF 0.98 assign (resid 64 and name HA ) (resid 64 and name HB1 ) 2.54 0.74 0.74 !peak 2143 #SUP 0.96 #QF 0.80 assign (resid 72 and name HA ) (resid 72 and name HB1 ) 2.64 0.84 0.84 !peak 2143 #SUP 0.96 #QF 0.80 assign (resid 72 and name HA ) (resid 75 and name HD2 ) 4.02 2.22 2.22 !peak 2149 #SUP 0.71 #QF 0.47 assign (resid 72 and name HA ) (resid 75 and name HD1 ) 4.02 2.22 2.22 !peak 2149 #SUP 0.71 #QF 0.47 assign (resid 62 and name HB1 ) (resid 62 and name HD2* ) 3.32 1.52 1.52 !peak 2153 #SUP 0.99 #QF 0.99 assign (resid 57 and name HD1* ) (resid 62 and name HB1 ) 3.28 1.48 1.48 !peak 2154 #SUP 1.00 #QF 0.31 assign (resid 62 and name HB2 ) (resid 62 and name HD1* ) 3.10 1.30 1.30 !peak 2155 #SUP 0.84 #QF 0.84 assign (resid 62 and name HB2 ) (resid 62 and name HD2* ) 3.10 1.30 1.30 !peak 2156 #SUP 0.97 #QF 0.97 assign (resid 30 and name HG2 ) (resid 62 and name HD2* ) 3.76 1.96 1.96 !peak 2158 #SUP 0.97 #QF 0.97 assign (resid 72 and name HB2 ) (resid 72 and name HE* ) 4.06 2.26 2.26 !peak 2166 #SUP 1.00 assign (resid 64 and name HA ) (resid 64 and name HG2 ) 2.92 1.12 1.12 !peak 2170 #SUP 0.99 #QF 0.99 assign (resid 65 and name HA ) (resid 68 and name HG2 ) 3.25 1.45 1.45 !peak 2185 #SUP 0.59 #QF 0.59 assign (resid 52 and name HD1* ) (resid 65 and name HA ) 3.09 1.29 1.28 !peak 2187 #SUP 0.91 #QF 0.91 assign (resid 66 and name HA ) (resid 69 and name HD1* ) 2.71 0.91 0.91 !peak 2191 #SUP 0.73 #QF 0.73 assign (resid 25 and name HB2 ) (resid 66 and name HD1* ) 3.55 1.75 1.74 !peak 2192 #SUP 0.88 #QF 0.88 assign (resid 68 and name HA ) (resid 71 and name HG2 ) 3.18 1.38 1.38 !peak 2197 #SUP 0.87 #QF 0.87 assign (resid 68 and name HA ) (resid 68 and name HG2 ) 3.18 1.38 1.38 !peak 2199 #SUP 0.87 #QF 0.87 assign (resid 52 and name HA ) (resid 52 and name HG12 ) 3.07 1.27 1.27 !peak 2201 #SUP 0.60 #QF 0.60 assign (resid 43 and name HG2* ) (resid 69 and name HA ) 2.97 1.17 1.17 !peak 2203 #SUP 0.86 #QF 0.58 assign (resid 69 and name HA ) (resid 72 and name HG2 ) 3.53 1.73 1.73 !peak 2205 #SUP 0.84 #QF 0.84 assign (resid 68 and name HB2 ) (resid 69 and name HA ) 3.94 2.14 2.14 !peak 2207 #SUP 0.76 #QF 0.40 assign (resid 68 and name HB1 ) (resid 69 and name HA ) 3.94 2.14 2.14 !peak 2207 #SUP 0.76 #QF 0.40 assign (resid 69 and name HB ) (resid 69 and name HD1* ) 2.76 0.96 0.96 !peak 2210 #SUP 0.85 #QF 0.64 assign (resid 45 and name HD1* ) (resid 72 and name HB1 ) 2.95 1.15 1.15 !peak 2211 #SUP 0.98 #QF 0.97 assign (resid 69 and name HG2* ) (resid 73 and name HG2* ) 2.50 0.70 0.70 !peak 2216 #SUP 0.38 #QF 0.38 assign (resid 70 and name HA ) (resid 70 and name HG2 ) 3.23 1.43 1.43 !peak 2217 #SUP 0.74 #QF 0.25 assign (resid 70 and name HA ) (resid 70 and name HG1 ) 3.23 1.43 1.43 !peak 2220 #SUP 0.69 #QF 0.69 assign (resid 68 and name HA ) (resid 71 and name HG1 ) 3.18 1.38 1.38 !peak 2233 #SUP 0.85 #QF 0.85 assign (resid 71 and name HG2 ) (resid 72 and name HN ) 3.82 2.02 2.02 !peak 2234 #SUP 1.00 assign (resid 67 and name HA ) (resid 70 and name HB1 ) 2.88 1.08 1.08 !peak 2238 #SUP 0.95 #QF 0.25 assign (resid 43 and name HG1* ) (resid 72 and name HB2 ) 3.35 1.55 1.55 !peak 2239 #SUP 0.89 #QF 0.75 assign (resid 45 and name HG2* ) (resid 72 and name HB1 ) 3.63 1.83 1.83 !peak 2240 #SUP 0.88 #QF 0.75 assign (resid 69 and name HG2* ) (resid 72 and name HB1 ) 4.33 2.53 2.53 !peak 2242 #SUP 0.96 #QF 0.34 assign (resid 43 and name HG1* ) (resid 72 and name HG2 ) 3.41 1.61 1.61 !peak 2244 #SUP 0.95 #QF 0.84 assign (resid 43 and name HG2* ) (resid 72 and name HG2 ) 3.69 1.89 1.89 !peak 2244 #SUP 0.95 #QF 0.84 assign (resid 69 and name HA ) (resid 72 and name HB1 ) 3.86 2.06 2.06 !peak 2249 #SUP 0.84 #QF 0.84 assign (resid 18 and name HG2* ) (resid 73 and name HG2* ) 3.23 1.43 1.43 !peak 2259 #SUP 0.74 #QF 0.74 assign (resid 45 and name HG11 ) (resid 73 and name HG2* ) 4.05 2.25 2.25 !peak 2260 #SUP 0.83 #QF 0.55 assign (resid 72 and name HG1 ) (resid 73 and name HG2* ) 4.35 2.55 2.55 !peak 2260 #SUP 0.83 #QF 0.55 assign (resid 72 and name HB2 ) (resid 73 and name HG2* ) 2.66 0.86 0.86 !peak 2261 #SUP 0.75 #QF 0.75 assign (resid 73 and name HG2* ) (resid 73 and name HG12 ) 3.00 1.20 1.20 !peak 2263 #SUP 0.97 #QF 0.97 assign (resid 75 and name HG1 ) (resid 76 and name HN ) 3.96 2.16 2.16 !peak 2278 #SUP 0.98 #QF 0.28 assign (resid 22 and name HD1* ) (resid 70 and name HB1 ) 2.80 1.00 1.00 !peak 2285 #SUP 0.83 #QF 0.53 assign (resid 45 and name HD1* ) (resid 76 and name HB2 ) 3.27 1.47 1.47 !peak 2286 #SUP 0.84 #QF 0.84 assign (resid 22 and name HD2* ) (resid 70 and name HB1 ) 3.13 1.33 1.33 !peak 2287 #SUP 0.81 #QF 0.81 assign (resid 45 and name HD1* ) (resid 78 and name HB2 ) 4.08 2.28 2.28 !peak 2295 #SUP 0.95 #QF 0.95 assign (resid 45 and name HD1* ) (resid 78 and name HB1 ) 4.08 2.28 2.28 !peak 2296 #SUP 0.86 #QF 0.86 assign (resid 45 and name HD1* ) (resid 81 and name HB ) 3.20 1.40 1.40 !peak 2302 #SUP 0.99 #QF 0.48 assign (resid 43 and name HG1* ) (resid 72 and name HB1 ) 3.17 1.37 1.37 !peak 2303 #SUP 0.80 #QF 0.65 assign (resid 30 and name HG2 ) (resid 31 and name HN ) 3.83 2.03 2.03 !peak 2313 #SUP 0.70 #QF 0.70 assign (resid 43 and name HA ) (resid 83 and name HA ) 3.11 1.31 1.31 !peak 2314 #SUP 0.81 #QF 0.81 assign (resid 84 and name HA ) (resid 93 and name HG2* ) 3.55 1.75 1.75 !peak 2320 #SUP 0.69 #QF 0.69 assign (resid 85 and name HA ) (resid 85 and name HG1* ) 2.98 1.18 1.18 !peak 2323 #SUP 0.99 #QF 0.99 assign (resid 85 and name HA ) (resid 85 and name HG2* ) 2.98 1.18 1.18 !peak 2324 #SUP 0.88 #QF 0.69 assign (resid 40 and name HB ) (resid 86 and name HB1 ) 3.54 1.74 1.74 !peak 2329 #SUP 0.77 #QF 0.77 assign (resid 39 and name HA ) (resid 87 and name HB2 ) 3.61 1.81 1.81 !peak 2331 #SUP 0.86 #QF 0.86 assign (resid 39 and name HA ) (resid 87 and name HB1 ) 3.61 1.81 1.81 !peak 2332 #SUP 0.70 #QF 0.70 assign (resid 90 and name HG1 ) (resid 91 and name HN ) 3.61 1.81 1.81 !peak 2351 #SUP 0.87 #QF 0.87 assign (resid 90 and name HG2 ) (resid 91 and name HN ) 3.61 1.81 1.81 !peak 2354 #SUP 0.50 #QF 0.50 assign (resid 91 and name HA ) (resid 92 and name HE3 ) 3.26 1.46 1.46 !peak 2361 #SUP 0.94 #QF 0.94 assign (resid 93 and name HA ) (resid 93 and name HG2* ) 3.19 1.39 1.39 !peak 2376 #SUP 0.80 #QF 0.80 assign (resid 93 and name HN ) (resid 93 and name HG2* ) 3.95 2.15 2.15 !peak 2377 #SUP 0.97 #QF 0.97 assign (resid 83 and name HG2* ) (resid 94 and name HB2 ) 4.33 2.53 2.53 !peak 2382 #SUP 0.99 #QF 0.96 assign (resid 83 and name HG1* ) (resid 94 and name HB1 ) 4.22 2.42 2.42 !peak 2383 #SUP 0.96 #QF 0.75 assign (resid 83 and name HG2* ) (resid 94 and name HB1 ) 4.22 2.42 2.42 !peak 2383 #SUP 0.96 #QF 0.75 assign (resid 83 and name HA ) (resid 94 and name HB2 ) 3.63 1.83 1.83 !peak 2387 #SUP 0.81 #QF 0.81 assign (resid 47 and name HN ) (resid 48 and name HG2 ) 4.35 2.55 2.55 !peak 2395 #SUP 0.63 #QF 0.63 assign (resid 29 and name HA ) (resid 32 and name HG ) 3.28 1.48 1.48 !peak 2410 #SUP 0.82 #QF 0.82 assign (resid 41 and name HB ) (resid 65 and name HD2* ) 3.83 2.03 2.03 !peak 2416 #SUP 0.51 #QF 0.51 assign (resid 41 and name HB ) (resid 52 and name HG2* ) 2.96 1.16 1.16 !peak 2417 #SUP 0.76 #QF 0.66 assign (resid 41 and name HB ) (resid 65 and name HD1* ) 3.83 2.03 2.03 !peak 2417 #SUP 0.76 #QF 0.66 assign (resid 40 and name HG1* ) (resid 53 and name HA ) 3.15 1.35 1.35 !peak 2419 #SUP 0.98 #QF 0.87 assign (resid 40 and name HG2* ) (resid 53 and name HA ) 3.30 1.50 1.50 !peak 2419 #SUP 0.98 #QF 0.87 assign (resid 57 and name HB ) (resid 58 and name HN ) 3.30 1.50 1.50 !peak 2421 #SUP 0.99 #QF 0.99 assign (resid 57 and name HB ) (resid 61 and name HG2 ) 4.29 2.49 2.49 !peak 2422 #SUP 0.93 #QF 0.80 assign (resid 57 and name HB ) (resid 61 and name HG1 ) 4.29 2.49 2.49 !peak 2422 #SUP 0.93 #QF 0.80 assign (resid 62 and name HA ) (resid 65 and name HG ) 3.52 1.72 1.72 !peak 2426 #SUP 0.60 #QF 0.60 assign (resid 39 and name HB ) (resid 41 and name HG2* ) 3.80 2.00 2.00 !peak 2427 #SUP 1.00 #QF 0.97 assign (resid 41 and name HG2* ) (resid 65 and name HB2 ) 3.92 2.12 2.12 !peak 2427 #SUP 1.00 #QF 0.97 assign (resid 65 and name HB2 ) (resid 65 and name HD1* ) 2.95 1.15 1.15 !peak 2430 #SUP 0.77 #QF 0.77 assign (resid 63 and name HA ) (resid 66 and name HD2* ) 3.06 1.26 1.26 !peak 2432 #SUP 0.93 #QF 0.93 assign (resid 66 and name HA ) (resid 66 and name HD2* ) 3.26 1.46 1.46 !peak 2433 #SUP 0.61 #QF 0.61 assign (resid 63 and name HA ) (resid 66 and name HD1* ) 3.06 1.26 1.26 !peak 2434 #SUP 0.59 #QF 0.59 assign (resid 66 and name HA ) (resid 66 and name HD1* ) 3.26 1.46 1.46 !peak 2435 #SUP 0.94 #QF 0.94 assign (resid 66 and name HB1 ) (resid 66 and name HD1* ) 3.29 1.49 1.49 !peak 2438 #SUP 0.98 #QF 0.60 assign (resid 26 and name HG1 ) (resid 66 and name HD1* ) 3.98 2.18 2.18 !peak 2439 #SUP 0.96 #QF 0.42 assign (resid 26 and name HB2 ) (resid 66 and name HD1* ) 4.03 2.23 2.23 !peak 2440 #SUP 0.69 #QF 0.69 assign (resid 26 and name HG1 ) (resid 66 and name HD2* ) 3.98 2.18 2.18 !peak 2441 #SUP 0.96 #QF 0.53 assign (resid 71 and name HB1 ) (resid 72 and name HN ) 3.39 1.59 1.59 !peak 2445 #SUP 0.92 #QF 0.92 assign (resid 72 and name HN ) (resid 72 and name HG2 ) 3.23 1.43 1.43 !peak 2450 #SUP 0.82 #QF 0.82 assign (resid 85 and name HB ) (resid 92 and name HB2 ) 3.23 1.43 1.43 !peak 2458 #SUP 0.92 #QF 0.92 assign (resid 85 and name HB ) (resid 92 and name HB1 ) 3.68 1.88 1.88 !peak 2459 #SUP 0.96 #QF 0.96 assign (resid 84 and name HA ) (resid 93 and name HA ) 3.11 1.31 1.31 !peak 2472 #SUP 0.74 #QF 0.74 assign (resid 65 and name HB1 ) (resid 66 and name HA ) 3.49 1.69 1.69 !peak 2500 #SUP 0.55 #QF 0.21 assign (resid 11 and name HN ) (resid 11 and name HD* ) 3.45 1.65 1.65 !peak 1117 assign (resid 11 and name HA ) (resid 11 and name HD* ) 3.29 1.49 1.49 !peak 1024 assign (resid 14 and name HB* ) (resid 14 and name HE* ) 3.21 1.41 1.41 !peak 987 assign (resid 14 and name HB* ) (resid 15 and name HN ) 3.38 1.58 1.58 !peak 817 assign (resid 18 and name HG2* ) (resid 74 and name HG* ) 3.36 1.56 1.56 !peak 659 assign (resid 21 and name HB* ) (resid 22 and name HN ) 3.31 1.51 1.51 !peak 1120 assign (resid 21 and name HD* ) (resid 22 and name HN ) 2.93 1.13 1.13 !peak 1121 assign (resid 21 and name HD* ) (resid 22 and name HG ) 2.69 0.89 0.89 !peak 476 assign (resid 21 and name HD* ) (resid 70 and name HA ) 3.45 1.65 1.65 !peak 802 assign (resid 22 and name HA ) (resid 25 and name HD* ) 3.17 1.37 1.37 !peak 837 assign (resid 22 and name HA ) (resid 66 and name HB* ) 3.60 1.80 1.80 !peak 839 assign (resid 22 and name HB2 ) (resid 66 and name HD* ) 3.40 1.60 1.60 !peak 2436 assign (resid 22 and name HB1 ) (resid 66 and name HB* ) 3.10 1.30 1.30 !peak 2189 assign (resid 22 and name HB1 ) (resid 66 and name HD* ) 2.75 0.95 0.95 !peak 352 assign (resid 22 and name HD1* ) (resid 66 and name HB* ) 3.11 1.31 1.31 !peak 202 assign (resid 22 and name HD1* ) (resid 70 and name HD* ) 3.05 1.25 1.25 !peak 203 assign (resid 23 and name HN ) (resid 66 and name HD* ) 3.24 1.44 1.44 !peak 424 assign (resid 23 and name HA ) (resid 23 and name HG* ) 2.96 1.16 1.16 !peak 1916 assign (resid 23 and name HA ) (resid 26 and name HB* ) 2.80 1.00 1.00 !peak 997 assign (resid 23 and name HA ) (resid 26 and name HD* ) 3.73 1.93 1.93 !peak 993 assign (resid 23 and name HA ) (resid 66 and name HD* ) 3.75 1.95 1.95 !peak 1006 assign (resid 23 and name HB* ) (resid 27 and name HE21 ) 3.72 1.92 1.92 !peak 1128 assign (resid 23 and name HG* ) (resid 27 and name HN ) 3.29 1.49 1.49 !peak 805 assign (resid 23 and name HG* ) (resid 27 and name HG* ) 3.24 1.44 1.44 !peak 608 assign (resid 23 and name HG* ) (resid 27 and name HE21 ) 2.75 0.95 0.95 !peak 962 assign (resid 23 and name HG* ) (resid 27 and name HE22 ) 2.99 1.19 1.19 !peak 968 assign (resid 24 and name HN ) (resid 24 and name HB* ) 2.60 0.80 0.80 !peak 506 assign (resid 24 and name HN ) (resid 24 and name HG* ) 2.78 0.98 0.98 !peak 1064 assign (resid 24 and name HA ) (resid 24 and name HG* ) 2.64 0.84 0.84 !peak 2147 assign (resid 24 and name HA ) (resid 27 and name HG* ) 3.14 1.34 1.34 !peak 642 assign (resid 24 and name HB* ) (resid 25 and name HN ) 3.09 1.29 1.29 !peak 1124 assign (resid 25 and name HN ) (resid 25 and name HD* ) 3.65 1.85 1.85 !peak 431 assign (resid 25 and name HA ) (resid 25 and name HD* ) 2.88 1.08 1.08 !peak 1937 assign (resid 25 and name HA ) (resid 28 and name HB* ) 3.25 1.45 1.45 !peak 751 assign (resid 25 and name HA ) (resid 28 and name HD* ) 3.43 1.63 1.63 !peak 35 assign (resid 25 and name HA ) (resid 85 and name HG* ) 3.60 1.80 1.80 !peak 1939 assign (resid 25 and name HB2 ) (resid 66 and name HB* ) 3.36 1.56 1.56 !peak 334 assign (resid 25 and name HB2 ) (resid 66 and name HD* ) 3.07 1.27 1.27 !peak 214 assign (resid 25 and name HB1 ) (resid 66 and name HD* ) 3.36 1.56 1.56 !peak 220 assign (resid 25 and name HB1 ) (resid 85 and name HG* ) 4.30 2.50 2.50 !peak 271 assign (resid 25 and name HD* ) (resid 28 and name HD* ) 3.11 1.31 1.31 !peak 19 assign (resid 25 and name HD* ) (resid 29 and name HE1 ) 3.45 1.65 1.65 !peak 1252 assign (resid 25 and name HD* ) (resid 29 and name HZ ) 3.38 1.58 1.58 !peak 1195 assign (resid 25 and name HD* ) (resid 66 and name HD* ) 3.22 1.42 1.42 !peak 62 assign (resid 25 and name HD* ) (resid 69 and name HG2* ) 3.89 2.09 2.09 !peak 20 assign (resid 25 and name HD* ) (resid 69 and name HG1* ) 3.38 1.58 1.58 !peak 57 assign (resid 25 and name HD* ) (resid 69 and name HD1* ) 2.72 0.92 0.92 !peak 2401 assign (resid 25 and name HD* ) (resid 83 and name HB ) 3.43 1.63 1.63 !peak 1967 assign (resid 25 and name HD* ) (resid 83 and name HG* ) 2.54 0.74 0.74 !peak 215 assign (resid 25 and name HD* ) (resid 85 and name HG* ) 2.77 0.97 0.97 !peak 21 assign (resid 25 and name HD* ) (resid 94 and name HE1 ) 3.65 1.85 1.85 !peak 1961 assign (resid 25 and name HD* ) (resid 94 and name HD2 ) 3.48 1.68 1.68 !peak 1285 assign (resid 26 and name HN ) (resid 26 and name HB* ) 2.49 0.69 0.69 !peak 490 assign (resid 26 and name HN ) (resid 26 and name HG* ) 3.17 1.37 1.37 !peak 491 assign (resid 26 and name HN ) (resid 66 and name HD* ) 2.73 0.93 0.93 !peak 494 assign (resid 26 and name HA ) (resid 26 and name HG* ) 2.80 1.00 1.00 !peak 380 assign (resid 26 and name HA ) (resid 26 and name HD* ) 3.59 1.79 1.79 !peak 800 assign (resid 26 and name HA ) (resid 62 and name HD* ) 3.66 1.86 1.86 !peak 807 assign (resid 26 and name HA ) (resid 66 and name HD* ) 2.88 1.08 1.08 !peak 810 assign (resid 26 and name HB* ) (resid 26 and name HD* ) 2.80 1.00 1.00 !peak 546 assign (resid 26 and name HB* ) (resid 27 and name HN ) 2.90 1.10 1.10 !peak 807 assign (resid 26 and name HB* ) (resid 27 and name HE21 ) 2.89 1.09 1.09 !peak 2291 assign (resid 26 and name HB* ) (resid 27 and name HE22 ) 3.42 1.62 1.62 !peak 1125 assign (resid 26 and name HB* ) (resid 28 and name HN ) 3.81 2.01 2.01 !peak 1340 assign (resid 26 and name HB* ) (resid 62 and name HD* ) 3.27 1.47 1.47 !peak 545 assign (resid 26 and name HB* ) (resid 66 and name HD* ) 2.76 0.96 0.96 !peak 201 assign (resid 26 and name HB2 ) (resid 66 and name HD2* ) 4.03 2.23 2.23 !peak 201 assign (resid 26 and name HG* ) (resid 27 and name HN ) 3.65 1.85 1.85 !peak 1387 assign (resid 26 and name HG* ) (resid 27 and name HE21 ) 4.03 2.23 2.23 !peak 1387 assign (resid 26 and name HG* ) (resid 30 and name HB2 ) 4.13 2.33 2.33 !peak 378 assign (resid 26 and name HG* ) (resid 30 and name HG1 ) 3.16 1.36 1.36 !peak 377 assign (resid 26 and name HG* ) (resid 66 and name HD* ) 2.67 0.87 0.87 !peak 2441 assign (resid 26 and name HG2 ) (resid 66 and name HD1* ) 3.98 2.18 2.18 !peak 2441 assign (resid 26 and name HG2 ) (resid 66 and name HD2* ) 3.98 2.18 2.18 !peak 2441 assign (resid 26 and name HD* ) (resid 27 and name HE21 ) 4.09 2.29 2.29 !peak 959 assign (resid 26 and name HD* ) (resid 27 and name HE22 ) 3.96 2.16 2.16 !peak 965 assign (resid 26 and name HD* ) (resid 66 and name HD* ) 3.17 1.37 1.37 !peak 218 assign (resid 27 and name HN ) (resid 27 and name HG* ) 2.62 0.83 0.83 !peak 803 assign (resid 27 and name HN ) (resid 28 and name HB* ) 4.24 2.44 2.44 !peak 809 assign (resid 27 and name HN ) (resid 66 and name HD* ) 3.77 1.97 1.97 !peak 811 assign (resid 27 and name HG* ) (resid 27 and name HE21 ) 2.61 0.81 0.81 !peak 960 assign (resid 27 and name HG* ) (resid 27 and name HE22 ) 2.84 1.04 1.04 !peak 966 assign (resid 27 and name HG* ) (resid 28 and name HN ) 3.61 1.81 1.81 !peak 371 assign (resid 28 and name HN ) (resid 28 and name HD* ) 3.12 1.32 1.32 !peak 378 assign (resid 28 and name HA ) (resid 28 and name HD* ) 2.64 0.84 0.84 !peak 8 assign (resid 28 and name HA ) (resid 31 and name HB* ) 2.85 1.05 1.05 !peak 2015 assign (resid 28 and name HB* ) (resid 29 and name HN ) 2.79 0.99 0.99 !peak 690 assign (resid 28 and name HB* ) (resid 29 and name HD2 ) 4.24 2.44 2.44 !peak 1255 assign (resid 28 and name HB* ) (resid 30 and name HN ) 4.09 2.29 2.29 !peak 563 assign (resid 28 and name HG ) (resid 32 and name HD* ) 2.88 1.08 1.08 !peak 2026 assign (resid 28 and name HD* ) (resid 29 and name HN ) 3.11 1.31 1.31 !peak 696 assign (resid 28 and name HD* ) (resid 29 and name HD2 ) 3.64 1.84 1.84 !peak 48 assign (resid 28 and name HD* ) (resid 31 and name HN ) 3.55 1.75 1.74 !peak 421 assign (resid 28 and name HD* ) (resid 31 and name HB* ) 3.36 1.56 1.56 !peak 2013 assign (resid 28 and name HD* ) (resid 31 and name HG* ) 3.49 1.69 1.69 !peak 7 assign (resid 28 and name HD* ) (resid 32 and name HN ) 3.29 1.49 1.49 !peak 653 assign (resid 28 and name HD* ) (resid 32 and name HG ) 3.26 1.46 1.46 !peak 2 assign (resid 28 and name HD* ) (resid 32 and name HD* ) 2.72 0.92 0.92 !peak 4 assign (resid 28 and name HD* ) (resid 39 and name HG2* ) 3.27 1.47 1.47 !peak 53 assign (resid 28 and name HD* ) (resid 85 and name HN ) 3.75 1.95 1.95 !peak 1771 assign (resid 28 and name HD* ) (resid 85 and name HB ) 3.36 1.56 1.56 !peak 2455 assign (resid 28 and name HD* ) (resid 85 and name HG* ) 2.69 0.89 0.89 !peak 50 assign (resid 28 and name HD* ) (resid 86 and name HN ) 4.30 2.50 2.50 !peak 180 assign (resid 28 and name HD* ) (resid 92 and name HN ) 3.62 1.82 1.82 !peak 920 assign (resid 28 and name HD* ) (resid 92 and name HB2 ) 3.57 1.77 1.77 !peak 52 assign (resid 28 and name HD* ) (resid 92 and name HE3 ) 3.60 1.80 1.80 !peak 1358 assign (resid 28 and name HD* ) (resid 92 and name HE1 ) 3.14 1.34 1.34 !peak 17 assign (resid 28 and name HD* ) (resid 92 and name HZ2 ) 3.59 1.79 1.79 !peak 1835 assign (resid 28 and name HD* ) (resid 92 and name HH2 ) 3.02 1.22 1.22 !peak 1273 assign (resid 29 and name HN ) (resid 31 and name HB* ) 4.24 2.44 2.44 !peak 687 assign (resid 29 and name HN ) (resid 62 and name HD* ) 4.15 2.35 2.35 !peak 695 assign (resid 29 and name HA ) (resid 32 and name HD* ) 3.23 1.43 1.43 !peak 972 assign (resid 29 and name HA ) (resid 62 and name HD* ) 3.61 1.81 1.81 !peak 966 assign (resid 29 and name HB2 ) (resid 62 and name HD* ) 2.88 1.08 1.08 !peak 776 assign (resid 29 and name HB2 ) (resid 65 and name HD* ) 3.95 2.15 2.15 !peak 764 assign (resid 29 and name HB2 ) (resid 66 and name HD* ) 3.94 2.14 2.14 !peak 783 assign (resid 29 and name HB1 ) (resid 62 and name HD* ) 2.96 1.16 1.16 !peak 729 assign (resid 29 and name HB1 ) (resid 65 and name HD* ) 3.85 2.05 2.05 !peak 717 assign (resid 29 and name HE1 ) (resid 62 and name HD* ) 3.36 1.56 1.56 !peak 1245 assign (resid 29 and name HE1 ) (resid 65 and name HD* ) 3.35 1.55 1.55 !peak 1257 assign (resid 29 and name HE1 ) (resid 66 and name HB* ) 3.57 1.77 1.77 !peak 1238 assign (resid 29 and name HE1 ) (resid 66 and name HD* ) 3.18 1.38 1.38 !peak 1246 assign (resid 29 and name HZ ) (resid 66 and name HD* ) 3.60 1.80 1.80 !peak 1816 assign (resid 29 and name HD2 ) (resid 32 and name HD* ) 3.25 1.45 1.45 !peak 1235 assign (resid 29 and name HD2 ) (resid 54 and name HG* ) 3.97 2.17 2.17 !peak 1231 assign (resid 29 and name HD2 ) (resid 65 and name HD* ) 3.68 1.88 1.88 !peak 1257 assign (resid 29 and name HD2 ) (resid 85 and name HG* ) 4.14 2.34 2.34 !peak 266 assign (resid 30 and name HN ) (resid 62 and name HD* ) 3.42 1.62 1.62 !peak 565 assign (resid 30 and name HA ) (resid 62 and name HD* ) 3.29 1.49 1.49 !peak 2012 assign (resid 30 and name HG2 ) (resid 62 and name HD* ) 3.41 1.61 1.61 !peak 140 assign (resid 31 and name HN ) (resid 31 and name HB* ) 2.69 0.89 0.89 !peak 419 assign (resid 31 and name HN ) (resid 32 and name HD* ) 3.80 2.00 2.00 !peak 1347 assign (resid 31 and name HN ) (resid 62 and name HD* ) 4.30 2.50 2.50 !peak 420 assign (resid 31 and name HA ) (resid 31 and name HG* ) 2.83 1.03 1.03 !peak 962 assign (resid 31 and name HB* ) (resid 32 and name HN ) 3.00 1.20 1.20 !peak 1612 assign (resid 31 and name HB* ) (resid 32 and name HG ) 3.34 1.54 1.54 !peak 446 assign (resid 31 and name HB* ) (resid 32 and name HD* ) 3.17 1.37 1.37 !peak 106 assign (resid 31 and name HB* ) (resid 33 and name HN ) 3.83 2.03 2.03 !peak 1592 assign (resid 31 and name HG* ) (resid 32 and name HG ) 4.24 2.44 2.44 !peak 2030 assign (resid 31 and name HG* ) (resid 32 and name HD* ) 3.67 1.87 1.87 !peak 613 assign (resid 32 and name HA ) (resid 32 and name HD* ) 2.46 0.66 0.66 !peak 927 assign (resid 32 and name HA ) (resid 35 and name HG* ) 3.32 1.52 1.52 !peak 2020 assign (resid 32 and name HA ) (resid 35 and name HD* ) 3.50 1.70 1.70 !peak 779 assign (resid 32 and name HB2 ) (resid 32 and name HD* ) 2.66 0.86 0.86 !peak 139 assign (resid 32 and name HB2 ) (resid 87 and name HB* ) 4.11 2.31 2.31 !peak 2337 assign (resid 32 and name HB1 ) (resid 32 and name HD* ) 2.67 0.87 0.87 !peak 330 assign (resid 32 and name HB1 ) (resid 35 and name HG* ) 3.50 1.70 1.70 !peak 2053 assign (resid 32 and name HD* ) (resid 34 and name HN ) 4.01 2.21 2.20 !peak 775 assign (resid 32 and name HD* ) (resid 35 and name HN ) 3.83 2.03 2.03 !peak 1353 assign (resid 32 and name HD* ) (resid 35 and name HG* ) 3.53 1.73 1.73 !peak 2021 assign (resid 32 and name HD* ) (resid 35 and name HD* ) 2.95 1.15 1.15 !peak 745 assign (resid 32 and name HD* ) (resid 37 and name HN ) 3.84 2.04 2.04 !peak 862 assign (resid 32 and name HD* ) (resid 39 and name HG11 ) 3.56 1.76 1.76 !peak 2024 assign (resid 32 and name HD* ) (resid 39 and name HD1* ) 2.79 0.99 0.99 !peak 65 assign (resid 32 and name HD* ) (resid 86 and name HN ) 4.20 2.40 2.40 !peak 179 assign (resid 32 and name HD* ) (resid 87 and name HN ) 3.60 1.80 1.80 !peak 753 assign (resid 32 and name HD* ) (resid 87 and name HB* ) 2.72 0.92 0.92 !peak 115 assign (resid 32 and name HD1* ) (resid 87 and name HB2 ) 4.05 2.25 2.25 !peak 115 assign (resid 32 and name HD* ) (resid 90 and name HB2 ) 3.66 1.86 1.86 !peak 104 assign (resid 32 and name HD* ) (resid 92 and name HZ3 ) 3.34 1.54 1.54 !peak 1235 assign (resid 32 and name HD* ) (resid 92 and name HZ2 ) 3.19 1.39 1.39 !peak 1292 assign (resid 32 and name HD* ) (resid 92 and name HH2 ) 2.81 1.01 1.01 !peak 1268 assign (resid 33 and name HN ) (resid 35 and name HD* ) 4.01 2.21 2.20 !peak 456 assign (resid 33 and name HB2 ) (resid 62 and name HD* ) 3.68 1.88 1.88 !peak 119 assign (resid 34 and name HN ) (resid 34 and name HG* ) 2.73 0.93 0.93 !peak 772 assign (resid 34 and name HN ) (resid 35 and name HG* ) 3.63 1.83 1.83 !peak 774 assign (resid 34 and name HN ) (resid 35 and name HD* ) 3.60 1.80 1.80 !peak 1319 assign (resid 34 and name HA ) (resid 35 and name HD* ) 4.24 2.44 2.44 !peak 891 assign (resid 34 and name HB2 ) (resid 35 and name HD* ) 4.00 2.20 2.20 !peak 770 assign (resid 34 and name HB1 ) (resid 35 and name HD* ) 4.24 2.44 2.44 !peak 775 assign (resid 34 and name HG* ) (resid 35 and name HN ) 3.18 1.38 1.38 !peak 761 assign (resid 34 and name HG* ) (resid 35 and name HA ) 3.67 1.87 1.87 !peak 638 assign (resid 34 and name HG* ) (resid 35 and name HG* ) 3.30 1.50 1.50 !peak 2032 assign (resid 35 and name HN ) (resid 35 and name HB* ) 2.65 0.85 0.85 !peak 762 assign (resid 35 and name HN ) (resid 35 and name HG* ) 2.61 0.81 0.81 !peak 763 assign (resid 35 and name HN ) (resid 35 and name HD* ) 3.23 1.43 1.43 !peak 760 assign (resid 35 and name HN ) (resid 36 and name HA* ) 3.26 1.46 1.46 !peak 1352 assign (resid 35 and name HA ) (resid 35 and name HG* ) 2.91 1.11 1.11 !peak 515 assign (resid 35 and name HA ) (resid 35 and name HD* ) 3.28 1.48 1.48 !peak 757 assign (resid 35 and name HB* ) (resid 35 and name HD* ) 2.64 0.84 0.84 !peak 2489 assign (resid 35 and name HB* ) (resid 36 and name HN ) 3.15 1.35 1.35 !peak 896 assign (resid 35 and name HB* ) (resid 37 and name HN ) 3.07 1.27 1.27 !peak 857 assign (resid 35 and name HB* ) (resid 37 and name HG2* ) 3.64 1.84 1.84 !peak 313 assign (resid 35 and name HG* ) (resid 37 and name HG2* ) 3.68 1.88 1.88 !peak 311 assign (resid 35 and name HD* ) (resid 36 and name HN ) 3.62 1.82 1.82 !peak 895 assign (resid 35 and name HD* ) (resid 36 and name HA* ) 4.13 2.33 2.33 !peak 891 assign (resid 35 and name HD* ) (resid 37 and name HN ) 3.78 1.98 1.97 !peak 856 assign (resid 36 and name HA* ) (resid 37 and name HN ) 2.68 0.88 0.88 !peak 854 assign (resid 36 and name HA* ) (resid 56 and name HA ) 3.88 2.08 2.08 !peak 2042 assign (resid 36 and name HA* ) (resid 56 and name HD22 ) 3.92 2.12 2.12 !peak 1077 assign (resid 37 and name HB ) (resid 88 and name HA* ) 3.81 2.01 2.01 !peak 1009 assign (resid 37 and name HG2* ) (resid 87 and name HB* ) 3.28 1.48 1.48 !peak 920 assign (resid 37 and name HG2* ) (resid 88 and name HA* ) 3.01 1.21 1.21 !peak 315 assign (resid 38 and name HA ) (resid 54 and name HG* ) 3.82 2.02 2.02 !peak 1019 assign (resid 38 and name HB1 ) (resid 55 and name HD* ) 3.41 1.61 1.61 !peak 2044 assign (resid 39 and name HN ) (resid 54 and name HG* ) 3.17 1.37 1.37 !peak 1670 assign (resid 39 and name HA ) (resid 85 and name HG* ) 3.55 1.75 1.75 !peak 1067 assign (resid 39 and name HA ) (resid 87 and name HB* ) 3.20 1.40 1.40 !peak 2331 assign (resid 39 and name HB ) (resid 54 and name HG* ) 2.71 0.91 0.91 !peak 385 assign (resid 39 and name HG2* ) (resid 65 and name HD* ) 3.38 1.58 1.58 !peak 53 assign (resid 39 and name HG2* ) (resid 85 and name HG* ) 2.53 0.73 0.73 !peak 261 assign (resid 39 and name HG2* ) (resid 87 and name HB* ) 2.88 1.08 1.08 !peak 109 assign (resid 39 and name HG12 ) (resid 87 and name HB* ) 3.71 1.91 1.91 !peak 2335 assign (resid 39 and name HG11 ) (resid 54 and name HG* ) 3.21 1.41 1.41 !peak 487 assign (resid 39 and name HG11 ) (resid 87 and name HB* ) 3.33 1.53 1.53 !peak 935 assign (resid 39 and name HD1* ) (resid 65 and name HD* ) 3.14 1.34 1.34 !peak 45 assign (resid 39 and name HD1* ) (resid 85 and name HG* ) 3.78 1.98 1.97 !peak 258 assign (resid 39 and name HD1* ) (resid 87 and name HB* ) 3.26 1.46 1.46 !peak 932 assign (resid 40 and name HN ) (resid 85 and name HG* ) 2.88 1.08 1.08 !peak 94 assign (resid 40 and name HN ) (resid 87 and name HB* ) 3.23 1.43 1.43 !peak 91 assign (resid 40 and name HA ) (resid 53 and name HG* ) 3.58 1.78 1.78 !peak 1082 assign (resid 40 and name HB ) (resid 53 and name HG* ) 3.57 1.77 1.77 !peak 2105 assign (resid 40 and name HG2* ) (resid 53 and name HG* ) 3.09 1.29 1.29 !peak 356 assign (resid 40 and name HG2* ) (resid 53 and name HD* ) 3.67 1.87 1.87 !peak 253 assign (resid 41 and name HN ) (resid 53 and name HG* ) 4.01 2.21 2.21 !peak 61 assign (resid 41 and name HB ) (resid 52 and name HG1* ) 3.23 1.43 1.43 !peak 595 assign (resid 41 and name HB ) (resid 65 and name HD* ) 3.09 1.29 1.29 !peak 2417 assign (resid 41 and name HG2* ) (resid 65 and name HD* ) 2.69 0.89 0.89 !peak 262 assign (resid 42 and name HN ) (resid 42 and name HB* ) 2.52 0.72 0.72 !peak 127 assign (resid 42 and name HN ) (resid 83 and name HG* ) 2.94 1.14 1.14 !peak 130 assign (resid 42 and name HN ) (resid 84 and name HB* ) 3.42 1.62 1.62 !peak 126 assign (resid 42 and name HA ) (resid 42 and name HG* ) 2.94 1.14 1.14 !peak 1133 assign (resid 42 and name HB* ) (resid 43 and name HN ) 3.25 1.45 1.45 !peak 2066 assign (resid 42 and name HB* ) (resid 44 and name HD2 ) 3.39 1.59 1.59 !peak 1881 assign (resid 42 and name HB* ) (resid 84 and name HN ) 3.20 1.40 1.40 !peak 193 assign (resid 42 and name HB* ) (resid 84 and name HB* ) 2.90 1.10 1.10 !peak 589 assign (resid 42 and name HB* ) (resid 86 and name HD2 ) 3.55 1.75 1.74 !peak 632 assign (resid 42 and name HG* ) (resid 43 and name HN ) 2.92 1.12 1.12 !peak 206 assign (resid 42 and name HG* ) (resid 44 and name HN ) 3.78 1.98 1.98 !peak 32 assign (resid 42 and name HG* ) (resid 49 and name HG2 ) 4.24 2.44 2.44 !peak 594 assign (resid 42 and name HG* ) (resid 50 and name HN ) 3.38 1.58 1.58 !peak 159 assign (resid 44 and name HB2 ) (resid 82 and name HB* ) 3.04 1.24 1.24 !peak 551 assign (resid 44 and name HB2 ) (resid 82 and name HG* ) 3.41 1.61 1.61 !peak 750 assign (resid 44 and name HD2 ) (resid 82 and name HB* ) 4.24 2.44 2.44 !peak 1213 assign (resid 45 and name HA ) (resid 46 and name HD2* ) 4.24 2.44 2.44 !peak 1033 assign (resid 45 and name HG2* ) (resid 46 and name HB* ) 2.83 1.03 1.03 !peak 690 assign (resid 45 and name HG2* ) (resid 46 and name HD2* ) 2.89 1.09 1.09 !peak 1014 assign (resid 45 and name HG2* ) (resid 76 and name HG* ) 3.15 1.35 1.35 !peak 641 assign (resid 45 and name HG2* ) (resid 78 and name HB* ) 2.98 1.18 1.18 !peak 216 assign (resid 45 and name HG12 ) (resid 76 and name HB* ) 4.24 2.44 2.44 !peak 594 assign (resid 45 and name HG12 ) (resid 81 and name HG* ) 2.96 1.16 1.16 !peak 275 assign (resid 45 and name HD1* ) (resid 76 and name HB* ) 2.79 0.99 0.99 !peak 2286 assign (resid 45 and name HD1* ) (resid 76 and name HG* ) 3.46 1.66 1.66 !peak 639 assign (resid 45 and name HD1* ) (resid 78 and name HB* ) 3.60 1.80 1.80 !peak 2295 assign (resid 46 and name HN ) (resid 46 and name HB* ) 2.93 1.13 1.13 !peak 104 assign (resid 46 and name HN ) (resid 46 and name HD2* ) 3.69 1.89 1.89 !peak 99 assign (resid 46 and name HN ) (resid 47 and name HA* ) 4.03 2.23 2.23 !peak 102 assign (resid 46 and name HN ) (resid 80 and name HB* ) 3.50 1.70 1.70 !peak 107 assign (resid 46 and name HA ) (resid 46 and name HD2* ) 3.00 1.20 1.20 !peak 1006 assign (resid 46 and name HA ) (resid 80 and name HB* ) 3.12 1.32 1.32 !peak 1033 assign (resid 46 and name HA ) (resid 80 and name HG* ) 3.17 1.37 1.37 !peak 618 assign (resid 46 and name HB* ) (resid 46 and name HD2* ) 2.62 0.82 0.82 !peak 1010 assign (resid 46 and name HB* ) (resid 48 and name HN ) 3.06 1.26 1.26 !peak 345 assign (resid 46 and name HB* ) (resid 48 and name HG2 ) 4.14 2.34 2.34 !peak 695 assign (resid 46 and name HD2* ) (resid 76 and name HB* ) 3.40 1.60 1.60 !peak 1038 assign (resid 46 and name HD2* ) (resid 76 and name HG* ) 3.87 2.07 2.07 !peak 1011 assign (resid 46 and name HD2* ) (resid 78 and name HB* ) 3.15 1.35 1.35 !peak 1008 assign (resid 46 and name HD2* ) (resid 79 and name HN ) 3.92 2.12 2.12 !peak 591 assign (resid 46 and name HD2* ) (resid 80 and name HN ) 3.80 2.00 2.00 !peak 324 assign (resid 46 and name HD2* ) (resid 80 and name HB* ) 3.15 1.35 1.35 !peak 1012 assign (resid 46 and name HD2* ) (resid 80 and name HG* ) 4.13 2.33 2.33 !peak 1011 assign (resid 47 and name HN ) (resid 80 and name HB* ) 4.17 2.37 2.37 !peak 884 assign (resid 47 and name HA* ) (resid 48 and name HN ) 2.69 0.89 0.89 !peak 344 assign (resid 49 and name HN ) (resid 49 and name HD* ) 3.63 1.83 1.83 !peak 214 assign (resid 49 and name HA ) (resid 49 and name HD* ) 3.80 2.00 2.00 !peak 1097 assign (resid 49 and name HB2 ) (resid 49 and name HD* ) 3.00 1.20 1.20 !peak 725 assign (resid 49 and name HB1 ) (resid 49 and name HD* ) 2.91 1.11 1.11 !peak 433 assign (resid 51 and name HN ) (resid 51 and name HB* ) 2.60 0.80 0.80 !peak 231 assign (resid 51 and name HN ) (resid 52 and name HG1* ) 3.18 1.38 1.38 !peak 237 assign (resid 51 and name HG2 ) (resid 53 and name HG* ) 2.86 1.06 1.06 !peak 2108 assign (resid 51 and name HG1 ) (resid 53 and name HG* ) 3.46 1.66 1.66 !peak 2107 assign (resid 52 and name HN ) (resid 52 and name HG1* ) 2.96 1.16 1.16 !peak 36 assign (resid 52 and name HA ) (resid 52 and name HG1* ) 2.74 0.94 0.94 !peak 238 assign (resid 52 and name HG2* ) (resid 52 and name HG1* ) 2.50 0.70 0.70 !peak 188 assign (resid 52 and name HG2* ) (resid 65 and name HD* ) 3.22 1.42 1.42 !peak 49 assign (resid 52 and name HG2* ) (resid 68 and name HG* ) 3.61 1.81 1.81 !peak 193 assign (resid 52 and name HG2* ) (resid 68 and name HD* ) 3.12 1.32 1.32 !peak 184 assign (resid 52 and name HG1* ) (resid 53 and name HN ) 3.87 2.07 2.07 !peak 1633 assign (resid 52 and name HD1* ) (resid 68 and name HB* ) 2.98 1.18 1.18 !peak 2098 assign (resid 52 and name HD1* ) (resid 68 and name HG* ) 3.11 1.31 1.31 !peak 2039 assign (resid 53 and name HN ) (resid 53 and name HG* ) 2.82 1.02 1.02 !peak 115 assign (resid 53 and name HN ) (resid 53 and name HD* ) 3.85 2.05 2.05 !peak 113 assign (resid 53 and name HA ) (resid 53 and name HG* ) 3.03 1.23 1.23 !peak 2103 assign (resid 53 and name HA ) (resid 53 and name HD* ) 3.64 1.84 1.84 !peak 1125 assign (resid 53 and name HA ) (resid 54 and name HG* ) 3.64 1.84 1.84 !peak 1122 assign (resid 53 and name HB2 ) (resid 53 and name HD* ) 2.93 1.13 1.13 !peak 737 assign (resid 53 and name HB2 ) (resid 54 and name HG* ) 4.30 2.50 2.50 !peak 176 assign (resid 53 and name HB1 ) (resid 53 and name HD* ) 2.99 1.19 1.19 !peak 736 assign (resid 53 and name HG* ) (resid 54 and name HN ) 3.33 1.53 1.53 !peak 318 assign (resid 54 and name HN ) (resid 54 and name HG* ) 2.61 0.81 0.81 !peak 320 assign (resid 54 and name HA ) (resid 54 and name HG* ) 2.54 0.74 0.74 !peak 165 assign (resid 54 and name HA ) (resid 55 and name HB* ) 3.99 2.19 2.19 !peak 1042 assign (resid 54 and name HB ) (resid 57 and name HG1* ) 3.36 1.56 1.56 !peak 560 assign (resid 54 and name HG* ) (resid 55 and name HN ) 2.90 1.10 1.10 !peak 238 assign (resid 54 and name HG* ) (resid 55 and name HA ) 3.95 2.15 2.15 !peak 1019 assign (resid 54 and name HG* ) (resid 55 and name HB* ) 4.19 2.39 2.39 !peak 176 assign (resid 54 and name HG* ) (resid 56 and name HN ) 4.28 2.48 2.48 !peak 1076 assign (resid 54 and name HG* ) (resid 57 and name HG1* ) 2.84 1.04 1.04 !peak 175 assign (resid 54 and name HG* ) (resid 57 and name HD1* ) 2.81 1.01 1.01 !peak 163 assign (resid 54 and name HG* ) (resid 65 and name HD* ) 2.49 0.69 0.69 !peak 178 assign (resid 55 and name HN ) (resid 55 and name HB* ) 2.77 0.97 0.97 !peak 232 assign (resid 55 and name HN ) (resid 55 and name HD* ) 3.40 1.60 1.60 !peak 1620 assign (resid 55 and name HB* ) (resid 55 and name HD* ) 2.77 0.97 0.97 !peak 478 assign (resid 55 and name HB* ) (resid 56 and name HN ) 3.29 1.49 1.49 !peak 1581 assign (resid 55 and name HB* ) (resid 56 and name HD21 ) 3.85 2.05 2.05 !peak 945 assign (resid 55 and name HD* ) (resid 56 and name HN ) 4.20 2.40 2.40 !peak 1590 assign (resid 56 and name HN ) (resid 57 and name HG1* ) 3.97 2.17 2.17 !peak 548 assign (resid 56 and name HB* ) (resid 57 and name HN ) 3.33 1.53 1.53 !peak 704 assign (resid 57 and name HN ) (resid 57 and name HG1* ) 2.88 1.08 1.08 !peak 706 assign (resid 57 and name HA ) (resid 57 and name HG1* ) 3.00 1.20 1.20 !peak 956 assign (resid 57 and name HA ) (resid 61 and name HG* ) 4.24 2.44 2.44 !peak 965 assign (resid 57 and name HB ) (resid 61 and name HG* ) 3.84 2.04 2.04 !peak 2422 assign (resid 57 and name HG2* ) (resid 57 and name HG1* ) 2.66 0.86 0.86 !peak 294 assign (resid 57 and name HG2* ) (resid 61 and name HB* ) 2.92 1.12 1.12 !peak 174 assign (resid 57 and name HG2* ) (resid 61 and name HG* ) 3.11 1.31 1.31 !peak 164 assign (resid 57 and name HG1* ) (resid 58 and name HN ) 3.67 1.87 1.87 !peak 930 assign (resid 57 and name HG1* ) (resid 61 and name HB* ) 3.81 2.01 2.01 !peak 304 assign (resid 57 and name HG1* ) (resid 62 and name HA ) 3.56 1.76 1.76 !peak 2424 assign (resid 57 and name HG1* ) (resid 62 and name HD* ) 4.05 2.25 2.25 !peak 298 assign (resid 57 and name HD1* ) (resid 65 and name HD* ) 3.00 1.20 1.20 !peak 43 assign (resid 58 and name HN ) (resid 61 and name HB* ) 3.02 1.22 1.22 !peak 2150 assign (resid 58 and name HN ) (resid 61 and name HG* ) 3.54 1.74 1.74 !peak 928 assign (resid 58 and name HB2 ) (resid 60 and name HG* ) 3.02 1.22 1.22 !peak 1011 assign (resid 58 and name HB2 ) (resid 61 and name HG* ) 3.74 1.94 1.94 !peak 2495 assign (resid 58 and name HB1 ) (resid 59 and name HB* ) 3.89 2.09 2.09 !peak 902 assign (resid 58 and name HB1 ) (resid 60 and name HB* ) 3.95 2.15 2.15 !peak 2497 assign (resid 59 and name HN ) (resid 59 and name HG* ) 3.61 1.81 1.81 !peak 2134 assign (resid 59 and name HA ) (resid 59 and name HG* ) 2.89 1.09 1.09 !peak 300 assign (resid 59 and name HA ) (resid 59 and name HD* ) 3.41 1.61 1.61 !peak 826 assign (resid 59 and name HA ) (resid 62 and name HD* ) 3.01 1.21 1.21 !peak 126 assign (resid 59 and name HB* ) (resid 59 and name HE* ) 3.46 1.66 1.66 !peak 2139 assign (resid 59 and name HB* ) (resid 60 and name HN ) 3.27 1.47 1.47 !peak 523 assign (resid 59 and name HB* ) (resid 60 and name HA ) 4.08 2.28 2.28 !peak 902 assign (resid 59 and name HB* ) (resid 62 and name HD* ) 2.84 1.04 1.04 !peak 461 assign (resid 59 and name HG* ) (resid 60 and name HN ) 3.33 1.53 1.53 !peak 525 assign (resid 59 and name HG* ) (resid 61 and name HN ) 3.69 1.89 1.89 !peak 507 assign (resid 59 and name HG* ) (resid 62 and name HD* ) 4.15 2.35 2.35 !peak 298 assign (resid 59 and name HD* ) (resid 60 and name HN ) 3.44 1.64 1.64 !peak 524 assign (resid 59 and name HE* ) (resid 60 and name HB* ) 3.23 1.43 1.43 !peak 512 assign (resid 59 and name HE* ) (resid 60 and name HG* ) 3.74 1.94 1.94 !peak 628 assign (resid 60 and name HN ) (resid 60 and name HB* ) 2.67 0.87 0.87 !peak 522 assign (resid 60 and name HN ) (resid 60 and name HG* ) 2.87 1.07 1.07 !peak 520 assign (resid 60 and name HN ) (resid 63 and name HG* ) 3.76 1.96 1.96 !peak 2137 assign (resid 60 and name HA ) (resid 63 and name HG* ) 2.96 1.16 1.16 !peak 899 assign (resid 60 and name HG* ) (resid 61 and name HN ) 2.60 0.80 0.80 !peak 505 assign (resid 60 and name HG* ) (resid 63 and name HN ) 4.23 2.43 2.43 !peak 1364 assign (resid 61 and name HN ) (resid 61 and name HB* ) 2.59 0.79 0.79 !peak 1062 assign (resid 61 and name HN ) (resid 61 and name HG* ) 3.23 1.43 1.43 !peak 2292 assign (resid 61 and name HN ) (resid 62 and name HD* ) 3.71 1.91 1.91 !peak 1388 assign (resid 61 and name HN ) (resid 63 and name HG* ) 3.63 1.83 1.83 !peak 1065 assign (resid 61 and name HA ) (resid 61 and name HG* ) 2.88 1.08 1.08 !peak 2152 assign (resid 61 and name HB* ) (resid 62 and name HN ) 2.77 0.97 0.97 !peak 1484 assign (resid 62 and name HN ) (resid 62 and name HD* ) 3.14 1.34 1.34 !peak 1477 assign (resid 62 and name HA ) (resid 62 and name HD* ) 2.77 0.97 0.97 !peak 869 assign (resid 62 and name HA ) (resid 65 and name HD* ) 3.24 1.44 1.44 !peak 37 assign (resid 62 and name HD* ) (resid 63 and name HN ) 3.04 1.24 1.24 !peak 443 assign (resid 62 and name HD* ) (resid 63 and name HB* ) 3.60 1.80 1.80 !peak 503 assign (resid 62 and name HD* ) (resid 63 and name HG* ) 3.52 1.72 1.72 !peak 350 assign (resid 62 and name HD* ) (resid 63 and name HE* ) 4.05 2.25 2.25 !peak 97 assign (resid 62 and name HD* ) (resid 65 and name HN ) 3.75 1.95 1.95 !peak 1435 assign (resid 62 and name HD* ) (resid 65 and name HB1 ) 3.64 1.84 1.84 !peak 82 assign (resid 62 and name HD* ) (resid 65 and name HG ) 3.79 1.99 1.99 !peak 350 assign (resid 62 and name HD* ) (resid 65 and name HD* ) 2.87 1.07 1.07 !peak 41 assign (resid 62 and name HD* ) (resid 66 and name HN ) 3.59 1.79 1.79 !peak 1418 assign (resid 62 and name HD* ) (resid 66 and name HB* ) 3.90 2.10 2.10 !peak 503 assign (resid 62 and name HD* ) (resid 66 and name HD* ) 3.30 1.50 1.50 !peak 208 assign (resid 63 and name HN ) (resid 63 and name HB* ) 2.40 0.60 0.60 !peak 438 assign (resid 63 and name HN ) (resid 63 and name HG* ) 2.61 0.81 0.81 !peak 440 assign (resid 63 and name HN ) (resid 66 and name HD* ) 3.59 1.79 1.79 !peak 442 assign (resid 63 and name HA ) (resid 63 and name HG* ) 2.86 1.06 1.06 !peak 2245 assign (resid 63 and name HA ) (resid 66 and name HD* ) 2.77 0.97 0.97 !peak 2434 assign (resid 63 and name HB* ) (resid 63 and name HE* ) 2.95 1.15 1.15 !peak 507 assign (resid 63 and name HB* ) (resid 64 and name HN ) 2.64 0.84 0.84 !peak 1084 assign (resid 63 and name HG* ) (resid 63 and name HE* ) 2.86 1.06 1.06 !peak 395 assign (resid 63 and name HG* ) (resid 64 and name HN ) 3.78 1.98 1.98 !peak 1338 assign (resid 63 and name HE* ) (resid 66 and name HD* ) 3.58 1.78 1.78 !peak 696 assign (resid 64 and name HN ) (resid 64 and name HD* ) 2.88 1.08 1.08 !peak 1086 assign (resid 64 and name HN ) (resid 66 and name HD* ) 4.06 2.26 2.26 !peak 636 assign (resid 64 and name HN ) (resid 67 and name HG* ) 3.94 2.14 2.14 !peak 632 assign (resid 64 and name HA ) (resid 64 and name HD* ) 2.69 0.89 0.89 !peak 2144 assign (resid 64 and name HA ) (resid 67 and name HB* ) 2.54 0.74 0.74 !peak 909 assign (resid 64 and name HA ) (resid 67 and name HG* ) 3.11 1.31 1.31 !peak 2152 assign (resid 64 and name HB2 ) (resid 65 and name HD* ) 3.44 1.64 1.64 !peak 2503 assign (resid 64 and name HD* ) (resid 67 and name HG* ) 3.26 1.46 1.46 !peak 441 assign (resid 64 and name HE* ) (resid 67 and name HB* ) 3.26 1.46 1.46 !peak 607 assign (resid 64 and name HE* ) (resid 67 and name HG* ) 3.25 1.45 1.45 !peak 635 assign (resid 65 and name HN ) (resid 65 and name HD* ) 2.74 0.94 0.94 !peak 291 assign (resid 65 and name HA ) (resid 65 and name HD* ) 2.60 0.80 0.80 !peak 929 assign (resid 65 and name HA ) (resid 68 and name HB* ) 3.21 1.41 1.41 !peak 2501 assign (resid 65 and name HA ) (resid 68 and name HD* ) 3.38 1.58 1.58 !peak 919 assign (resid 65 and name HB2 ) (resid 65 and name HD* ) 2.68 0.88 0.88 !peak 2430 assign (resid 65 and name HB1 ) (resid 65 and name HD* ) 2.65 0.85 0.85 !peak 540 assign (resid 65 and name HD* ) (resid 66 and name HN ) 3.67 1.87 1.87 !peak 622 assign (resid 65 and name HD* ) (resid 68 and name HN ) 3.91 2.11 2.11 !peak 1469 assign (resid 65 and name HD* ) (resid 68 and name HG* ) 3.25 1.45 1.45 !peak 2504 assign (resid 65 and name HD* ) (resid 68 and name HD* ) 3.26 1.46 1.46 !peak 718 assign (resid 66 and name HN ) (resid 66 and name HB* ) 2.48 0.68 0.68 !peak 616 assign (resid 66 and name HN ) (resid 66 and name HD* ) 2.83 1.03 1.03 !peak 620 assign (resid 66 and name HN ) (resid 67 and name HG* ) 3.99 2.19 2.19 !peak 615 assign (resid 66 and name HA ) (resid 66 and name HD* ) 2.88 1.08 1.08 !peak 2433 assign (resid 66 and name HA ) (resid 69 and name HG1* ) 3.60 1.80 1.80 !peak 2500 assign (resid 66 and name HB* ) (resid 66 and name HD* ) 2.49 0.69 0.69 !peak 509 assign (resid 66 and name HB* ) (resid 67 and name HN ) 2.91 1.11 1.11 !peak 1403 assign (resid 66 and name HB* ) (resid 67 and name HG* ) 4.10 2.30 2.30 !peak 451 assign (resid 66 and name HB* ) (resid 69 and name HD1* ) 3.38 1.58 1.58 !peak 453 assign (resid 66 and name HD* ) (resid 67 and name HN ) 3.13 1.33 1.33 !peak 674 assign (resid 67 and name HN ) (resid 67 and name HB* ) 2.58 0.78 0.78 !peak 669 assign (resid 67 and name HN ) (resid 67 and name HG* ) 2.73 0.93 0.93 !peak 667 assign (resid 67 and name HA ) (resid 67 and name HG* ) 2.91 1.11 1.11 !peak 657 assign (resid 67 and name HA ) (resid 70 and name HD* ) 3.42 1.62 1.62 !peak 913 assign (resid 67 and name HG* ) (resid 68 and name HN ) 3.50 1.70 1.70 !peak 409 assign (resid 68 and name HN ) (resid 68 and name HB* ) 2.40 0.60 0.60 !peak 411 assign (resid 68 and name HN ) (resid 68 and name HG* ) 2.78 0.98 0.98 !peak 412 assign (resid 68 and name HN ) (resid 71 and name HG* ) 4.06 2.26 2.26 !peak 409 assign (resid 68 and name HA ) (resid 68 and name HG* ) 2.83 1.03 1.03 !peak 2199 assign (resid 68 and name HA ) (resid 68 and name HD* ) 3.54 1.74 1.74 !peak 953 assign (resid 68 and name HB* ) (resid 68 and name HD* ) 2.66 0.86 0.86 !peak 556 assign (resid 68 and name HB* ) (resid 69 and name HN ) 3.27 1.47 1.47 !peak 510 assign (resid 68 and name HB* ) (resid 69 and name HA ) 3.58 1.78 1.78 !peak 2207 assign (resid 69 and name HN ) (resid 69 and name HG1* ) 3.25 1.45 1.45 !peak 1478 assign (resid 69 and name HA ) (resid 69 and name HG1* ) 2.61 0.81 0.81 !peak 520 assign (resid 69 and name HG2* ) (resid 69 and name HG1* ) 2.70 0.90 0.90 !peak 2215 assign (resid 70 and name HN ) (resid 70 and name HG* ) 2.91 1.11 1.11 !peak 461 assign (resid 70 and name HN ) (resid 70 and name HD* ) 3.91 2.11 2.11 !peak 456 assign (resid 70 and name HN ) (resid 71 and name HG* ) 3.58 1.78 1.78 !peak 457 assign (resid 70 and name HA ) (resid 70 and name HG* ) 2.95 1.15 1.15 !peak 2220 assign (resid 70 and name HA ) (resid 70 and name HD* ) 3.94 2.14 2.14 !peak 1985 assign (resid 70 and name HB1 ) (resid 70 and name HD* ) 2.98 1.18 1.18 !peak 537 assign (resid 70 and name HG* ) (resid 71 and name HN ) 3.09 1.29 1.29 !peak 790 assign (resid 70 and name HG* ) (resid 71 and name HA ) 2.91 1.11 1.11 !peak 363 assign (resid 70 and name HD* ) (resid 71 and name HN ) 3.78 1.98 1.97 !peak 784 assign (resid 71 and name HN ) (resid 71 and name HB* ) 2.46 0.66 0.66 !peak 787 assign (resid 71 and name HN ) (resid 71 and name HG* ) 2.75 0.95 0.95 !peak 785 assign (resid 71 and name HA ) (resid 71 and name HG* ) 3.00 1.20 1.20 !peak 2446 assign (resid 71 and name HA ) (resid 74 and name HB* ) 2.90 1.10 1.10 !peak 2226 assign (resid 71 and name HA ) (resid 74 and name HG* ) 3.61 1.81 1.81 !peak 658 assign (resid 71 and name HB* ) (resid 72 and name HN ) 3.06 1.26 1.26 !peak 730 assign (resid 71 and name HB* ) (resid 72 and name HG2 ) 4.24 2.44 2.43 !peak 378 assign (resid 71 and name HB* ) (resid 72 and name HD1 ) 3.58 1.78 1.78 !peak 446 assign (resid 71 and name HG* ) (resid 72 and name HN ) 3.34 1.54 1.54 !peak 729 assign (resid 71 and name HG* ) (resid 72 and name HD1 ) 4.15 2.35 2.35 !peak 451 assign (resid 72 and name HA ) (resid 75 and name HB* ) 3.67 1.87 1.87 !peak 2272 assign (resid 72 and name HA ) (resid 75 and name HD* ) 3.53 1.73 1.73 !peak 2149 assign (resid 73 and name HN ) (resid 74 and name HB* ) 3.68 1.88 1.88 !peak 1044 assign (resid 73 and name HN ) (resid 74 and name HG* ) 3.88 2.08 2.08 !peak 828 assign (resid 73 and name HA ) (resid 81 and name HG* ) 3.30 1.50 1.50 !peak 834 assign (resid 73 and name HB ) (resid 81 and name HG* ) 3.44 1.64 1.64 !peak 2303 assign (resid 73 and name HG2* ) (resid 74 and name HG* ) 3.99 2.19 2.19 !peak 611 assign (resid 73 and name HD1* ) (resid 74 and name HB* ) 3.28 1.48 1.48 !peak 1988 assign (resid 74 and name HN ) (resid 74 and name HB* ) 2.63 0.83 0.83 !peak 578 assign (resid 74 and name HA ) (resid 74 and name HG* ) 2.79 0.99 0.99 !peak 609 assign (resid 74 and name HB* ) (resid 75 and name HN ) 2.96 1.16 1.16 !peak 1089 assign (resid 74 and name HG* ) (resid 75 and name HN ) 3.41 1.61 1.61 !peak 536 assign (resid 75 and name HN ) (resid 75 and name HB* ) 2.92 1.12 1.12 !peak 1090 assign (resid 75 and name HN ) (resid 75 and name HG* ) 2.85 1.05 1.05 !peak 538 assign (resid 75 and name HN ) (resid 75 and name HD* ) 3.33 1.53 1.53 !peak 1370 assign (resid 75 and name HA ) (resid 75 and name HG* ) 3.02 1.22 1.22 !peak 2280 assign (resid 75 and name HB* ) (resid 75 and name HD* ) 2.80 1.00 1.00 !peak 759 assign (resid 75 and name HB* ) (resid 76 and name HN ) 3.20 1.40 1.40 !peak 1137 assign (resid 76 and name HN ) (resid 76 and name HB* ) 2.67 0.87 0.87 !peak 602 assign (resid 76 and name HN ) (resid 76 and name HG* ) 3.17 1.37 1.37 !peak 601 assign (resid 76 and name HA ) (resid 76 and name HG* ) 3.03 1.23 1.23 !peak 644 assign (resid 76 and name HB* ) (resid 78 and name HN ) 3.06 1.26 1.26 !peak 1505 assign (resid 76 and name HB* ) (resid 78 and name HB* ) 3.41 1.61 1.61 !peak 582 assign (resid 76 and name HG* ) (resid 77 and name HN ) 3.78 1.98 1.97 !peak 869 assign (resid 76 and name HG* ) (resid 78 and name HN ) 3.92 2.12 2.12 !peak 842 assign (resid 78 and name HN ) (resid 78 and name HB* ) 2.65 0.85 0.85 !peak 840 assign (resid 78 and name HB* ) (resid 79 and name HN ) 2.98 1.18 1.18 !peak 593 assign (resid 78 and name HB* ) (resid 80 and name HN ) 2.86 1.06 1.06 !peak 326 assign (resid 79 and name HN ) (resid 79 and name HB* ) 2.98 1.18 1.18 !peak 1560 assign (resid 79 and name HA ) (resid 81 and name HG* ) 3.41 1.61 1.61 !peak 1045 assign (resid 79 and name HB* ) (resid 80 and name HN ) 3.26 1.46 1.46 !peak 1529 assign (resid 79 and name HB* ) (resid 80 and name HB* ) 3.52 1.72 1.72 !peak 524 assign (resid 80 and name HN ) (resid 80 and name HB* ) 2.73 0.93 0.93 !peak 328 assign (resid 80 and name HN ) (resid 80 and name HG* ) 3.37 1.57 1.57 !peak 1523 assign (resid 80 and name HN ) (resid 81 and name HG* ) 3.31 1.51 1.51 !peak 329 assign (resid 80 and name HB* ) (resid 81 and name HN ) 3.47 1.67 1.67 !peak 922 assign (resid 80 and name HG* ) (resid 81 and name HN ) 3.41 1.61 1.61 !peak 268 assign (resid 81 and name HN ) (resid 81 and name HG* ) 2.77 0.97 0.97 !peak 275 assign (resid 81 and name HG* ) (resid 82 and name HN ) 2.71 0.91 0.91 !peak 84 assign (resid 81 and name HG* ) (resid 83 and name HN ) 3.40 1.60 1.60 !peak 146 assign (resid 81 and name HG* ) (resid 96 and name HN ) 3.54 1.74 1.74 !peak 1678 assign (resid 82 and name HN ) (resid 82 and name HB* ) 2.72 0.92 0.92 !peak 81 assign (resid 82 and name HN ) (resid 82 and name HG* ) 3.44 1.64 1.64 !peak 80 assign (resid 82 and name HN ) (resid 83 and name HG* ) 4.07 2.27 2.27 !peak 1057 assign (resid 82 and name HG* ) (resid 83 and name HN ) 2.75 0.95 0.95 !peak 143 assign (resid 82 and name HG* ) (resid 84 and name HD21 ) 3.29 1.49 1.49 !peak 1027 assign (resid 82 and name HG* ) (resid 84 and name HD22 ) 3.32 1.52 1.52 !peak 1019 assign (resid 82 and name HG* ) (resid 93 and name HG2* ) 3.51 1.71 1.71 !peak 565 assign (resid 82 and name HG* ) (resid 95 and name HD2* ) 3.59 1.79 1.79 !peak 995 assign (resid 83 and name HN ) (resid 83 and name HG* ) 2.78 0.98 0.98 !peak 145 assign (resid 83 and name HA ) (resid 83 and name HG* ) 2.57 0.77 0.77 !peak 1121 assign (resid 83 and name HG* ) (resid 84 and name HN ) 2.74 0.94 0.94 !peak 194 assign (resid 83 and name HG* ) (resid 84 and name HA ) 3.33 1.53 1.53 !peak 2319 assign (resid 83 and name HG* ) (resid 94 and name HB2 ) 3.68 1.88 1.88 !peak 693 assign (resid 83 and name HG* ) (resid 94 and name HB1 ) 3.63 1.83 1.83 !peak 2383 assign (resid 83 and name HG* ) (resid 94 and name HD2 ) 3.37 1.57 1.57 !peak 1286 assign (resid 84 and name HN ) (resid 84 and name HB* ) 2.92 1.12 1.12 !peak 192 assign (resid 84 and name HA ) (resid 85 and name HG* ) 3.26 1.46 1.46 !peak 263 assign (resid 84 and name HB* ) (resid 85 and name HN ) 3.27 1.47 1.47 !peak 251 assign (resid 84 and name HD21 ) (resid 85 and name HG* ) 4.30 2.50 2.50 !peak 1029 assign (resid 85 and name HN ) (resid 85 and name HG* ) 2.68 0.88 0.88 !peak 1772 assign (resid 85 and name HA ) (resid 85 and name HG* ) 2.67 0.87 0.87 !peak 2323 assign (resid 85 and name HB ) (resid 87 and name HB* ) 4.24 2.44 2.44 !peak 2496 assign (resid 85 and name HG* ) (resid 86 and name HN ) 2.56 0.76 0.76 !peak 177 assign (resid 85 and name HG* ) (resid 86 and name HA ) 3.33 1.53 1.53 !peak 252 assign (resid 85 and name HG* ) (resid 87 and name HN ) 3.21 1.41 1.41 !peak 751 assign (resid 85 and name HG* ) (resid 87 and name HB* ) 3.13 1.33 1.33 !peak 924 assign (resid 85 and name HG* ) (resid 92 and name HB2 ) 3.39 1.59 1.59 !peak 714 assign (resid 85 and name HG* ) (resid 92 and name HE3 ) 3.32 1.52 1.51 !peak 2325 assign (resid 85 and name HG* ) (resid 92 and name HZ3 ) 3.81 2.01 2.01 !peak 1860 assign (resid 85 and name HG* ) (resid 94 and name HD2 ) 3.10 1.30 1.30 !peak 1287 assign (resid 86 and name HN ) (resid 87 and name HB* ) 3.78 1.98 1.97 !peak 173 assign (resid 87 and name HN ) (resid 87 and name HB* ) 2.88 1.08 1.08 !peak 746 assign (resid 87 and name HB* ) (resid 90 and name HN ) 4.08 2.28 2.28 !peak 390 assign (resid 87 and name HB* ) (resid 92 and name HZ3 ) 3.00 1.20 1.20 !peak 1224 assign (resid 87 and name HB* ) (resid 92 and name HH2 ) 3.34 1.54 1.54 !peak 1874 assign (resid 90 and name HN ) (resid 90 and name HG* ) 3.11 1.31 1.31 !peak 395 assign (resid 90 and name HN ) (resid 90 and name HE* ) 3.34 1.54 1.54 !peak 384 assign (resid 90 and name HA ) (resid 90 and name HG* ) 2.77 0.97 0.97 !peak 2344 assign (resid 90 and name HB2 ) (resid 90 and name HE* ) 3.28 1.48 1.48 !peak 1221 assign (resid 90 and name HB1 ) (resid 90 and name HE* ) 3.41 1.61 1.61 !peak 1225 assign (resid 90 and name HG* ) (resid 91 and name HN ) 3.28 1.48 1.48 !peak 2351 assign (resid 90 and name HG* ) (resid 92 and name HZ2 ) 3.62 1.82 1.82 !peak 2348 assign (resid 90 and name HG* ) (resid 92 and name HH2 ) 4.24 2.44 2.44 !peak 1868 assign (resid 90 and name HE* ) (resid 92 and name HZ2 ) 3.52 1.72 1.72 !peak 1833 assign (resid 90 and name HE* ) (resid 92 and name HH2 ) 2.96 1.16 1.16 !peak 971 assign (resid 93 and name HG2* ) (resid 95 and name HD2* ) 3.57 1.77 1.77 !peak 996 assign (resid 95 and name HN ) (resid 95 and name HB* ) 2.96 1.16 1.16 !peak 402 assign (resid 95 and name HN ) (resid 95 and name HD2* ) 3.37 1.57 1.57 !peak 399 assign (resid 95 and name HB* ) (resid 96 and name HN ) 3.23 1.43 1.43 !peak 299 assign (resid 96 and name HN ) (resid 96 and name HG* ) 3.70 1.90 1.90 !peak 301 assign (resid 97 and name HN ) (resid 97 and name HG* ) 3.44 1.64 1.64 !peak 50 assign (resid 97 and name HN ) (resid 97 and name HD* ) 3.67 1.87 1.87 !peak 49 assign (resid 97 and name HA ) (resid 97 and name HD* ) 3.65 1.85 1.85 !peak 981
Contact the webmaster for help, if required. Saturday, May 18, 2024 2:22:35 AM GMT (wattos1)