NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
565222 |
2lwl   |
18634 | cing | 1-original | 3 | DYANA/DIANA | distance | NOE | simple |
# List of unambiguous distance restraints.
#
# Created by Aria 2.0a, Thu May 2 17:34:59 2013
#
# Author:
# Date: Fri Apr 19 19:13:31 2013
# Project: hbd6 new
# Run: 17
# Path: /home/vpaula/Documentos/defensins/hbd6/calculo/run17
#
# Restraints used during calculation: 453
# Violated: 2
#
#
# Abbreviations:
#
# ref_spec: Spectrum name
# ref_no: Reference peak number (as in spectrum)
# id: Internal ARIA restraint-id (unique over all spectra)
# active: yes(no): restraint has (not) been used in the calculation. A restraint is inactive
# either if it was violated in the last iteration or if it has been merged with
# another restraint.
# d: Restaint distance [A], after calibration.
# upper: Upper bound [A]
# lower: Lower bound [A]
#
# Statistical quantities which have been calculated with respect to the structures of
# this iteration:
#
# d_avg: Average distance [A] found in structure ensemble.
# l_viol: Average lower-bound violation [A].
# u_viol: Average upper-bound violation [A].
# %_viol: Percentage of structures in which a restraint was violated.
# viol: 'yes' if the restraint has been violated. 'no' otherwise. Violated restraints
# will not be used in the subsequent iteration.
#
# a_type: Assignment type. Valid types are:
# M (manual): Restraint stems from existing (complete) cross-peak assignment.
# S (semi-automatic): Reference cross-peak is only partially assigned. ARIA has
# completed the assignment.
# A (automatic): Reference cross-peak has not been assigned. ARIA has generated
# a list of probable assignments.
#
# sep: sequence separation s: I: s == 0 (intra-residual)
# Q: s == 1 (sequential)
# S: 2 <= s <= 3 (short)
# M: 4 <= s <= 5 (medium)
# L: s > 5 (long)
# i: inter-monomer
#
# All statistical quantities are calculated with respect to a 'filtered' ensemble of structures
# (e.g. n-lowest energy structures etc). See also section in project-xml file.
#
# ref_spec ref_no id active d lower upper d_avg l_viol u_viol %_viol viol a_type sep
NOESY13C 2 1 yes 2.46 1.70 3.22 2.56 0.00 0.00 0.0 no M I
NOESY13C 3 2 yes 2.76 1.81 3.72 3.53 0.00 0.05 0.0 no M Q
NOESY13C 4 3 yes 2.44 1.69 3.18 2.92 0.00 0.00 0.0 no M I
NOESY13C 5 4 yes 2.57 1.75 3.40 2.68 0.00 0.00 0.0 no M I
NOESY13C 6 5 yes 2.56 1.74 3.38 2.50 0.00 0.00 0.0 no M I
NOESY13C 7 6 yes 2.71 1.79 3.62 2.79 0.00 0.00 0.0 no M I
NOESY13C 8 7 yes 2.69 1.78 3.59 3.61 0.00 0.03 0.0 no M S
NOESY13C 9 8 yes 2.70 1.79 3.61 3.15 0.00 0.09 0.0 no M I
NOESY13C 10 9 yes 2.30 1.64 2.96 2.21 0.00 0.00 0.0 no M I
NOESY13C 12 11 yes 2.77 1.81 3.72 3.00 0.00 0.00 0.0 no M M
NOESY13C 13 12 yes 2.76 1.81 3.72 2.35 0.00 0.00 0.0 no M L
NOESY13C 14 13 yes 1.95 1.47 2.43 1.75 0.00 0.00 0.0 no M I
NOESY13C 16 15 yes 2.46 1.70 3.21 2.53 0.00 0.00 0.0 no M Q
NOESY13C 17 16 yes 2.63 1.77 3.50 3.01 0.00 0.00 0.0 no M I
NOESY13C 18 17 yes 2.66 1.78 3.55 3.31 0.00 0.10 14.3 no M I
NOESY13C 19 18 yes 2.24 1.61 2.87 2.12 0.00 0.00 0.0 no M I
NOESY13C 20 19 yes 2.04 1.52 2.56 2.15 0.00 0.00 0.0 no M Q
NOESY13C 23 22 yes 2.99 1.87 4.11 3.80 0.00 0.00 0.0 no M L
NOESY13C 24 23 yes 2.05 1.53 2.58 1.76 0.00 0.00 0.0 no M I
NOESY13C 25 24 yes 2.69 1.78 3.59 2.61 0.00 0.00 0.0 no M I
NOESY13C 26 25 yes 2.60 1.76 3.45 2.58 0.00 0.00 0.0 no M I
NOESY13C 28 27 yes 2.22 1.60 2.84 2.89 0.00 0.05 0.0 no M L
NOESY13C 30 29 yes 2.43 1.69 3.17 3.02 0.00 0.00 0.0 no M I
NOESY13C 31 30 yes 2.16 1.58 2.75 2.52 0.00 0.00 0.0 no M I
NOESY13C 32 31 yes 2.94 1.86 4.01 3.54 0.00 0.03 0.0 no M I
NOESY13C 33 32 yes 2.37 1.67 3.07 2.53 0.00 0.00 0.0 no M I
NOESY13C 34 33 yes 2.09 1.54 2.63 2.27 0.00 0.00 0.0 no M I
NOESY13C 41 40 yes 2.48 1.71 3.24 2.53 0.00 0.00 0.0 no M I
NOESY13C 42 41 yes 2.31 1.64 2.98 3.02 0.00 0.04 0.0 no M I
NOESY13C 44 43 yes 2.30 1.64 2.97 2.61 0.00 0.00 0.0 no M I
NOESY13C 45 44 yes 2.17 1.58 2.76 2.31 0.00 0.00 0.0 no M I
NOESY13C 47 46 yes 2.90 1.85 3.96 3.74 0.00 0.00 0.0 no M I
NOESY13C 49 48 yes 2.86 1.84 3.88 3.92 0.00 0.04 0.0 no M L
NOESY13C 51 50 yes 2.66 1.78 3.55 2.23 0.00 0.00 0.0 no M I
NOESY13C 52 51 yes 2.47 1.71 3.23 2.65 0.00 0.00 0.0 no M Q
NOESY13C 53 52 yes 2.75 1.80 3.70 3.13 0.00 0.00 0.0 no M I
NOESY13C 54 53 yes 2.36 1.66 3.06 2.86 0.00 0.00 0.0 no M I
NOESY13C 56 55 yes 2.30 1.64 2.96 2.44 0.00 0.00 0.0 no M I
NOESY13C 57 56 yes 2.55 1.74 3.37 3.19 0.00 0.03 0.0 no M L
NOESY13C 58 57 yes 2.26 1.62 2.89 2.13 0.00 0.00 0.0 no M I
NOESY13C 60 59 yes 2.33 1.65 3.01 2.61 0.00 0.00 0.0 no M I
NOESY13C 62 61 yes 2.51 1.72 3.30 2.73 0.00 0.00 0.0 no M I
NOESY13C 63 62 yes 2.20 1.59 2.80 2.18 0.00 0.00 0.0 no M Q
NOESY13C 65 64 yes 2.39 1.68 3.10 2.55 0.00 0.00 0.0 no M I
NOESY13C 66 65 yes 2.49 1.71 3.26 2.54 0.00 0.00 0.0 no M Q
NOESY13C 67 66 yes 2.57 1.74 3.39 2.48 0.00 0.00 0.0 no M I
NOESY13C 68 67 yes 3.11 1.90 4.33 3.99 0.00 0.00 0.0 no M I
NOESY13C 70 69 yes 2.72 1.80 3.65 2.61 0.00 0.00 0.0 no M I
NOESY13C 73 72 yes 3.00 1.87 4.12 3.71 0.00 0.00 0.0 no M I
NOESY13C 74 73 yes 2.96 1.86 4.05 3.71 0.00 0.00 0.0 no M I
NOESY13C 75 74 yes 2.84 1.83 3.86 2.42 0.00 0.00 0.0 no M I
NOESY13C 76 75 yes 2.73 1.80 3.67 2.80 0.00 0.00 0.0 no M I
NOESY13C 77 76 yes 2.54 1.73 3.34 2.61 0.00 0.00 0.0 no M I
NOESY13C 78 77 yes 2.28 1.63 2.93 2.48 0.00 0.00 0.0 no M I
NOESY13C 80 79 yes 2.91 1.85 3.98 3.53 0.00 0.00 0.0 no M I
NOESY13C 81 80 yes 2.58 1.75 3.42 2.79 0.00 0.00 0.0 no M I
NOESY13C 82 81 yes 3.34 1.94 4.73 3.48 0.00 0.00 0.0 no M Q
NOESY13C 83 82 yes 2.86 1.84 3.88 3.02 0.00 0.00 0.0 no M I
NOESY13C 84 83 yes 2.60 1.75 3.44 2.60 0.00 0.00 0.0 no M I
NOESY13C 86 85 yes 1.94 1.47 2.41 2.31 0.00 0.00 0.0 no M I
NOESY13C 88 87 yes 2.47 1.71 3.23 3.02 0.00 0.00 0.0 no M I
NOESY13C 92 91 yes 2.33 1.65 3.01 3.00 0.00 0.01 0.0 no M I
NOESY13C 93 92 yes 2.35 1.66 3.04 2.50 0.00 0.00 0.0 no M I
NOESY13C 94 93 yes 2.13 1.56 2.70 2.05 0.00 0.00 0.0 no M I
NOESY13C 96 95 yes 2.15 1.57 2.72 2.04 0.00 0.00 0.0 no M L
NOESY13C 100 99 yes 2.65 1.77 3.53 2.83 0.00 0.00 0.0 no M I
NOESY13C 101 100 yes 2.78 1.82 3.75 2.00 0.00 0.00 0.0 no M L
NOESY13C 102 101 yes 2.05 1.52 2.58 2.27 0.00 0.00 0.0 no M I
NOESY13C 105 104 yes 2.27 1.63 2.92 2.12 0.00 0.00 0.0 no M I
NOESY13C 109 108 yes 2.51 1.72 3.30 2.60 0.00 0.00 0.0 no M I
NOESY13C 110 109 yes 2.41 1.68 3.13 2.50 0.00 0.06 0.0 no M I
NOESY13C 111 110 yes 2.07 1.53 2.60 2.24 0.00 0.00 0.0 no M Q
NOESY13C 113 112 yes 3.02 1.88 4.16 2.92 0.00 0.00 0.0 no M I
NOESY13C 116 115 yes 2.19 1.59 2.79 2.13 0.00 0.00 0.0 no M I
NOESY13C 119 118 yes 2.91 1.85 3.98 3.04 0.00 0.00 0.0 no M L
NOESY13C 120 119 yes 2.55 1.74 3.35 2.55 0.00 0.00 0.0 no M I
NOESY13C 122 121 yes 2.64 1.77 3.52 3.49 0.00 0.03 0.0 no M S
NOESY13C 124 123 yes 2.41 1.68 3.14 2.72 0.00 0.00 0.0 no M I
NOESY13C 125 124 yes 2.96 1.87 4.06 2.83 0.00 0.00 0.0 no M I
NOESY13C 127 126 yes 3.28 1.94 4.63 4.56 0.00 0.01 0.0 no M M
NOESY13C 130 129 yes 2.99 1.87 4.10 4.19 0.00 0.09 14.3 no M S
NOESY13C 131 130 yes 2.87 1.84 3.90 3.62 0.00 0.00 0.0 no M I
NOESY13C 132 131 yes 2.57 1.74 3.39 2.37 0.00 0.00 0.0 no M I
NOESY13C 134 133 yes 2.59 1.75 3.42 3.49 0.00 0.07 0.0 no M S
NOESY13C 135 134 yes 2.78 1.81 3.75 2.78 0.00 0.00 0.0 no M I
NOESY13C 136 135 yes 2.45 1.70 3.21 2.49 0.00 0.02 0.0 no M L
NOESY13C 137 136 yes 2.90 1.85 3.96 3.80 0.00 0.00 0.0 no M I
NOESY13C 146 145 yes 2.34 1.65 3.02 2.15 0.00 0.00 0.0 no M Q
NOESY13C 147 146 yes 2.61 1.76 3.46 2.79 0.00 0.00 0.0 no M I
NOESY13C 148 147 yes 2.62 1.76 3.48 2.38 0.00 0.00 0.0 no M I
NOESY13C 149 148 yes 2.09 1.54 2.63 2.64 0.00 0.07 28.6 no M L
NOESY13C 151 150 yes 2.13 1.56 2.70 2.59 0.00 0.02 0.0 no M I
NOESY13C 154 153 yes 2.73 1.80 3.66 2.94 0.00 0.00 0.0 no M I
NOESY13C 155 154 yes 2.19 1.59 2.80 2.34 0.00 0.00 0.0 no M Q
NOESY13C 156 155 yes 2.72 1.80 3.65 2.54 0.00 0.00 0.0 no M M
NOESY13C 157 156 yes 2.53 1.73 3.33 2.99 0.00 0.00 0.0 no M I
NOESY13C 158 157 yes 2.30 1.64 2.96 2.57 0.00 0.05 0.0 no M I
NOESY13C 159 158 yes 2.47 1.71 3.23 2.84 0.00 0.00 0.0 no M I
NOESY13C 160 159 yes 2.10 1.55 2.65 2.50 0.00 0.00 0.0 no M Q
NOESY13C 164 160 yes 2.77 1.81 3.73 2.57 0.00 0.05 0.0 no M I
NOESY13C 165 161 yes 2.56 1.74 3.39 2.89 0.00 0.00 0.0 no M I
NOESY13C 166 162 yes 1.83 1.41 2.25 1.76 0.00 0.00 0.0 no M I
NOESY13C 167 163 yes 2.86 1.84 3.89 3.58 0.00 0.00 0.0 no M I
NOESY13C 169 165 yes 2.62 1.76 3.48 2.39 0.00 0.00 0.0 no M L
NOESY13C 170 166 yes 2.81 1.82 3.80 2.34 0.00 0.00 0.0 no M I
NOESY13C 172 168 yes 1.93 1.46 2.39 1.76 0.00 0.00 0.0 no M I
NOESY13C 177 173 yes 2.70 1.79 3.60 3.32 0.00 0.10 28.6 no M Q
NOESY13C 178 174 yes 2.70 1.79 3.60 3.47 0.00 0.05 0.0 no M I
NOESY13C 181 177 yes 3.15 1.91 4.40 2.94 0.00 0.00 0.0 no M I
NOESY13C 182 178 yes 1.85 1.42 2.28 1.76 0.00 0.00 0.0 no M I
NOESY13C 183 179 yes 2.64 1.77 3.51 2.62 0.00 0.00 0.0 no M I
NOESY13C 184 180 yes 2.49 1.71 3.26 2.60 0.00 0.00 0.0 no M Q
NOESY13C 185 181 yes 2.72 1.80 3.64 3.01 0.00 0.00 0.0 no M I
NOESY13C 187 183 yes 2.43 1.69 3.17 2.58 0.00 0.00 0.0 no M I
NOESY13C 189 185 yes 2.23 1.61 2.85 2.38 0.00 0.00 0.0 no M Q
NOESY13C 190 186 yes 2.74 1.80 3.67 2.84 0.00 0.00 0.0 no M I
NOESY13C 191 187 yes 2.33 1.65 3.00 3.02 0.00 0.02 0.0 no M I
NOESY13C 193 189 yes 2.69 1.79 3.59 2.83 0.00 0.00 0.0 no M I
NOESY13C 194 190 yes 2.38 1.67 3.09 2.97 0.00 0.07 0.0 no M L
NOESY13C 195 191 yes 2.69 1.79 3.59 3.24 0.00 0.00 0.0 no M I
NOESY13C 197 193 yes 2.90 1.85 3.94 3.21 0.00 0.00 0.0 no M I
NOESY13C 198 194 yes 3.14 1.91 4.37 3.37 0.00 0.00 0.0 no M I
NOESY13C 199 195 yes 2.65 1.77 3.52 2.57 0.00 0.00 0.0 no M S
NOESY13C 200 196 yes 2.36 1.67 3.06 2.54 0.00 0.00 0.0 no M I
NOESY13C 201 197 yes 2.91 1.85 3.97 2.18 0.00 0.00 0.0 no M I
NOESY13C 202 198 yes 3.18 1.92 4.45 3.50 0.00 0.00 0.0 no M Q
NOESY13C 203 199 yes 2.62 1.76 3.49 2.86 0.00 0.00 0.0 no M I
NOESY13C 204 200 yes 2.52 1.73 3.32 3.34 0.00 0.08 0.0 no M S
NOESY13C 205 201 yes 2.65 1.77 3.53 3.56 0.00 0.03 14.3 no M S
NOESY13C 207 203 yes 2.35 1.66 3.04 2.51 0.00 0.00 0.0 no M I
NOESY13C 208 204 yes 2.18 1.58 2.77 2.31 0.00 0.00 0.0 no M Q
NOESY13C 209 205 yes 2.09 1.54 2.63 2.12 0.00 0.00 0.0 no M I
NOESY13C 210 206 yes 2.32 1.65 2.99 1.98 0.00 0.00 0.0 no M L
NOESY13C 211 207 yes 2.63 1.76 3.49 2.65 0.00 0.00 0.0 no M L
NOESY13C 213 209 yes 2.18 1.58 2.77 2.12 0.00 0.00 0.0 no M Q
NOESY13C 214 210 yes 2.66 1.78 3.55 2.84 0.00 0.00 0.0 no M I
NOESY13C 215 211 yes 2.73 1.80 3.66 3.30 0.00 0.10 28.6 no M I
NOESY13C 216 212 yes 2.49 1.71 3.26 3.03 0.00 0.05 0.0 no M Q
NOESY13C 218 214 yes 2.17 1.58 2.76 2.53 0.00 0.00 0.0 no M I
NOESY13C 219 215 yes 2.88 1.84 3.92 2.69 0.00 0.00 0.0 no M I
NOESY13C 220 216 yes 2.50 1.72 3.28 2.58 0.00 0.00 0.0 no M I
NOESY13C 221 217 yes 2.61 1.76 3.45 2.52 0.00 0.00 0.0 no M I
NOESY13C 222 218 yes 2.30 1.64 2.96 2.42 0.00 0.00 0.0 no M I
NOESY13C 223 219 yes 1.94 1.47 2.41 1.76 0.00 0.00 0.0 no M I
NOESY13C 224 220 yes 2.48 1.71 3.24 2.55 0.00 0.00 0.0 no M I
NOESY13C 225 221 yes 2.45 1.70 3.20 2.49 0.00 0.00 0.0 no M I
NOESY13C 228 224 yes 2.42 1.69 3.15 2.68 0.00 0.00 0.0 no M I
NOESY13C 232 228 yes 2.43 1.69 3.17 3.01 0.00 0.00 0.0 no M I
NOESY13C 233 229 yes 2.33 1.65 3.00 2.57 0.00 0.00 0.0 no M I
NOESY13C 235 231 yes 2.96 1.87 4.06 3.02 0.00 0.03 0.0 no M L
NOESY13C 237 233 yes 2.53 1.73 3.33 2.56 0.00 0.00 0.0 no M L
NOESY13C 239 235 yes 2.22 1.60 2.83 2.11 0.00 0.00 0.0 no M I
NOESY13C 240 236 yes 2.97 1.87 4.07 3.36 0.00 0.00 0.0 no M I
NOESY13C 241 237 yes 2.48 1.71 3.25 2.54 0.00 0.00 0.0 no M I
NOESY13C 242 238 yes 2.58 1.75 3.42 3.10 0.00 0.07 14.3 no M I
NOESY13C 243 239 yes 3.00 1.87 4.12 3.96 0.00 0.04 0.0 no M L
NOESY13C 244 240 yes 2.49 1.72 3.27 2.76 0.00 0.00 0.0 no S I
NOESY13C 246 242 yes 2.49 1.71 3.26 2.59 0.00 0.03 0.0 no M Q
NOESY13C 247 243 yes 2.64 1.77 3.50 2.68 0.00 0.00 0.0 no M I
NOESY13C 251 247 yes 2.40 1.68 3.11 2.56 0.00 0.00 0.0 no M I
NOESY13C 253 249 yes 2.56 1.74 3.39 3.02 0.00 0.00 0.0 no M I
NOESY13C 254 250 yes 2.38 1.67 3.09 2.16 0.00 0.00 0.0 no M Q
NOESY13C 255 251 yes 2.62 1.76 3.49 2.75 0.00 0.00 0.0 no M I
NOESY13C 256 252 yes 2.49 1.71 3.26 3.18 0.00 0.04 0.0 no M M
NOESY13C 257 253 yes 2.92 1.85 3.98 3.99 0.00 0.04 0.0 no M M
NOESY13C 258 254 yes 2.58 1.75 3.41 2.57 0.00 0.00 0.0 no M I
NOESY13C 260 256 yes 2.92 1.86 3.99 3.54 0.00 0.00 0.0 no M I
NOESY13C 261 257 yes 1.86 1.43 2.30 1.76 0.00 0.00 0.0 no M I
NOESY13C 262 258 yes 2.34 1.66 3.03 2.29 0.00 0.00 0.0 no M M
NOESY13C 263 259 yes 2.61 1.76 3.46 2.43 0.00 0.00 0.0 no M M
NOESY13C 264 260 yes 2.41 1.68 3.13 2.45 0.00 0.00 0.0 no M I
NOESY13C 265 261 yes 2.73 1.80 3.66 3.27 0.00 0.00 0.0 no M Q
NOESY13C 269 265 yes 2.31 1.64 2.97 2.36 0.00 0.00 0.0 no M I
NOESY13C 270 266 yes 2.58 1.75 3.42 2.40 0.00 0.00 0.0 no M Q
NOESY13C 273 269 yes 3.07 1.89 4.25 4.33 0.00 0.09 28.6 no M Q
NOESY13C 276 272 yes 2.17 1.58 2.76 2.47 0.00 0.00 0.0 no M Q
NOESY13C 277 273 yes 2.54 1.73 3.35 2.86 0.00 0.00 0.0 no M I
NOESY13C 278 274 yes 2.57 1.74 3.40 2.41 0.00 0.00 0.0 no M L
NOESY13C 280 276 yes 2.53 1.73 3.34 2.79 0.00 0.00 0.0 no M I
NOESY13C 281 277 yes 2.33 1.65 3.01 2.59 0.00 0.00 0.0 no M I
NOESY13C 282 278 yes 2.72 1.80 3.65 2.99 0.00 0.00 0.0 no M I
NOESY13C 283 279 yes 2.45 1.70 3.20 2.76 0.00 0.00 0.0 no M S
NOESY13C 284 280 yes 2.53 1.73 3.32 3.07 0.00 0.02 0.0 no M S
NOESY13C 285 281 yes 2.53 1.73 3.33 2.80 0.00 0.00 0.0 no M I
NOESY13C 286 282 yes 2.23 1.61 2.85 2.47 0.00 0.00 0.0 no M I
NOESY13C 287 283 yes 2.86 1.84 3.89 2.97 0.00 0.00 0.0 no M I
NOESY13C 288 284 yes 2.57 1.74 3.39 2.59 0.00 0.00 0.0 no M I
NOESY13C 289 285 yes 2.65 1.77 3.53 2.42 0.00 0.00 0.0 no M I
NOESY13C 291 287 yes 2.70 1.79 3.60 3.02 0.00 0.00 0.0 no M I
NOESY13C 292 288 yes 2.13 1.56 2.69 2.14 0.00 0.00 0.0 no M Q
NOESY13C 293 289 yes 2.93 1.86 3.99 3.53 0.00 0.00 0.0 no M L
NOESY13C 295 291 yes 2.20 1.59 2.80 2.14 0.00 0.00 0.0 no M I
NOESY13C 297 293 yes 2.67 1.78 3.57 3.22 0.00 0.00 0.0 no M Q
NOESY13C 301 297 yes 2.39 1.67 3.10 2.85 0.00 0.00 0.0 no M I
NOESY13C 302 298 yes 2.18 1.59 2.78 2.28 0.00 0.00 0.0 no M I
NOESY13C 304 300 yes 2.36 1.66 3.06 2.56 0.00 0.00 0.0 no M M
NOESY13C 306 302 yes 2.82 1.83 3.81 3.01 0.00 0.00 0.0 no M I
NOESY13C 309 305 yes 2.97 1.87 4.08 3.90 0.00 0.01 0.0 no M M
NOESY13C 311 307 yes 3.02 1.88 4.17 4.18 0.00 0.02 0.0 no M M
NOESY13C 316 312 yes 2.59 1.75 3.43 2.28 0.00 0.00 0.0 no M I
NOESY13C 317 313 yes 2.51 1.72 3.29 2.72 0.00 0.00 0.0 no M I
NOESY13C 321 317 yes 2.41 1.69 3.14 2.84 0.00 0.00 0.0 no M I
NOESY13C 322 318 yes 2.45 1.70 3.21 2.98 0.00 0.04 0.0 no M Q
NOESY13C 323 319 yes 2.86 1.84 3.88 2.53 0.00 0.00 0.0 no M I
NOESY13C 324 320 yes 1.85 1.42 2.27 1.75 0.00 0.00 0.0 no M I
NOESY13C 327 323 yes 2.63 1.76 3.49 2.95 0.00 0.00 0.0 no M I
NOESY13C 328 324 yes 2.34 1.66 3.02 2.97 0.00 0.02 0.0 no M I
NOESY13C 329 325 yes 2.62 1.76 3.48 2.46 0.00 0.00 0.0 no M I
NOESY13C 331 327 yes 2.38 1.67 3.09 2.33 0.00 0.00 0.0 no M I
NOESY13C 332 328 yes 2.57 1.74 3.39 3.19 0.00 0.31 14.3 no M I
NOESY13C 333 329 yes 2.39 1.68 3.11 2.24 0.00 0.00 0.0 no M Q
NOESY13C 334 330 yes 2.29 1.63 2.94 2.49 0.00 0.00 0.0 no M I
NOESY13C 339 335 yes 2.68 1.78 3.57 2.67 0.00 0.00 0.0 no M L
NOESY13C 340 336 yes 2.25 1.62 2.88 2.60 0.00 0.00 0.0 no M I
NOESY13C 341 337 yes 2.38 1.67 3.08 3.06 0.00 0.02 0.0 no M S
NOESY13C 342 338 yes 1.98 1.49 2.47 2.12 0.00 0.00 0.0 no M I
NOESY13C 344 340 yes 2.46 1.70 3.22 2.87 0.00 0.00 0.0 no M I
NOESY13C 347 343 yes 2.68 1.78 3.58 2.70 0.00 0.02 0.0 no M L
NOESY13C 348 344 yes 2.64 1.77 3.51 3.00 0.00 0.00 0.0 no M I
NOESY13C 350 346 yes 2.92 1.86 3.99 3.80 0.00 0.06 0.0 no M L
NOESY13C 351 347 yes 2.23 1.61 2.84 2.70 0.00 0.01 0.0 no M I
NOESY13C 353 349 yes 2.65 1.77 3.52 2.33 0.00 0.00 0.0 no M L
NOESY13C 355 351 yes 2.60 1.75 3.44 2.52 0.00 0.00 0.0 no M I
NOESY13C 356 352 yes 2.72 1.80 3.65 3.60 0.00 0.04 14.3 no M L
NOESY13C 357 353 yes 1.86 1.43 2.29 1.76 0.00 0.00 0.0 no M I
NOESY13C 358 354 yes 2.64 1.77 3.51 3.17 0.00 0.08 0.0 no M I
NOESY13C 359 355 yes 2.96 1.86 4.05 4.02 0.00 0.03 0.0 no M L
NOESY13C 361 357 yes 2.26 1.62 2.90 2.88 0.00 0.06 14.3 no M Q
NOESY13C 362 358 yes 2.43 1.69 3.17 3.02 0.00 0.00 0.0 no M I
NOESY13C 363 359 yes 2.73 1.80 3.66 3.55 0.00 0.00 0.0 no M S
NOESY13C 364 360 yes 2.49 1.72 3.27 2.67 0.00 0.00 0.0 no M I
NOESY13C 365 361 yes 2.96 1.87 4.06 2.72 0.00 0.00 0.0 no M I
NOESY13C 366 362 yes 2.60 1.76 3.45 2.84 0.00 0.00 0.0 no M I
NOESY13C 367 363 yes 2.04 1.52 2.57 2.45 0.00 0.00 0.0 no M I
NOESY13C 368 364 yes 2.74 1.80 3.68 2.48 0.00 0.00 0.0 no M I
NOESY13C 372 368 yes 2.84 1.83 3.85 3.90 0.00 0.06 14.3 no M L
NOESY13C 373 369 yes 2.78 1.81 3.75 3.02 0.00 0.00 0.0 no M I
NOESY13C 374 370 yes 2.55 1.74 3.37 2.46 0.00 0.00 0.0 no M I
NOESY13C 375 371 yes 2.54 1.73 3.35 2.58 0.00 0.00 0.0 no M L
NOESY13C 376 372 yes 2.55 1.74 3.37 2.56 0.00 0.00 0.0 no M I
NOESY13C 378 374 yes 2.81 1.82 3.79 3.74 0.00 0.00 0.0 no M I
NOESY13C 379 375 yes 2.70 1.79 3.61 3.71 0.00 0.10 57.1 yes M I
NOESY13C 380 376 yes 2.75 1.81 3.70 3.56 0.00 0.00 0.0 no M I
NOESY13C 381 377 yes 2.84 1.83 3.84 3.62 0.00 0.03 0.0 no M L
NOESY13C 382 378 yes 2.63 1.77 3.50 3.01 0.00 0.05 0.0 no M L
NOESY13C 383 379 yes 2.17 1.58 2.76 2.22 0.00 0.00 0.0 no M I
NOESY13C 384 380 yes 2.11 1.55 2.66 2.12 0.00 0.00 0.0 no S I
NOESY13C 385 381 yes 2.92 1.86 3.99 3.91 0.00 0.02 0.0 no M Q
NOESY13C 388 384 yes 3.05 1.89 4.22 3.26 0.00 0.00 0.0 no M Q
NOESY13C 392 388 yes 2.50 1.72 3.29 2.64 0.00 0.00 0.0 no M I
NOESY13C 393 389 yes 2.86 1.84 3.89 2.92 0.01 0.00 0.0 no M Q
NOESY13C 394 390 yes 2.89 1.85 3.94 3.62 0.00 0.00 0.0 no M L
NOESY13C 395 391 yes 2.50 1.72 3.28 2.22 0.00 0.00 0.0 no M L
NOESY13C 397 393 yes 2.57 1.75 3.40 2.48 0.00 0.00 0.0 no M I
NOESY13C 398 394 yes 2.53 1.73 3.34 2.93 0.00 0.00 0.0 no M I
NOESY13C 399 395 yes 2.76 1.81 3.72 2.45 0.00 0.00 0.0 no M I
NOESY13C 403 399 yes 2.43 1.69 3.17 3.15 0.00 0.01 0.0 no M I
NOESY13C 406 402 yes 2.85 1.84 3.87 3.21 0.00 0.00 0.0 no M L
NOESY13C 407 403 yes 3.03 1.88 4.19 3.83 0.00 0.00 0.0 no M Q
NOESY13C 414 410 yes 2.78 1.82 3.75 3.69 0.00 0.01 0.0 no M M
NOESY13C 417 413 yes 2.54 1.73 3.34 2.77 0.00 0.00 0.0 no M I
NOESY13C 418 414 yes 2.29 1.64 2.95 2.74 0.00 0.00 0.0 no M Q
NOESY13C 419 415 yes 2.28 1.63 2.93 2.44 0.00 0.00 0.0 no M I
NOESY13C 420 416 yes 2.37 1.67 3.07 2.09 0.00 0.00 0.0 no M L
NOESY13C 421 417 yes 2.40 1.68 3.11 2.33 0.00 0.00 0.0 no M I
NOESY13C 422 418 yes 2.56 1.74 3.38 2.88 0.00 0.00 0.0 no M I
NOESY13C 423 419 yes 2.03 1.52 2.55 2.17 0.00 0.00 0.0 no M Q
NOESY13C 424 420 yes 2.23 1.61 2.86 2.65 0.00 0.00 0.0 no M L
NOESY13C 426 422 yes 2.18 1.58 2.77 2.13 0.00 0.00 0.0 no M I
NOESY13C 430 426 yes 2.53 1.73 3.33 3.02 0.00 0.00 0.0 no M I
NOESY13C 431 427 yes 3.02 1.88 4.16 3.45 0.00 0.00 0.0 no M I
NOESY13C 432 428 yes 2.46 1.70 3.22 2.48 0.00 0.00 0.0 no M I
NOESY13C 433 429 yes 2.56 1.74 3.38 2.63 0.00 0.04 0.0 no M S
NOESY13C 434 430 yes 2.18 1.59 2.78 2.55 0.00 0.00 0.0 no M I
NOESY13C 435 431 yes 2.51 1.72 3.30 2.80 0.00 0.22 28.6 no M I
NOESY13C 437 433 yes 2.42 1.69 3.15 2.73 0.00 0.05 0.0 no M M
NOESY13C 438 434 yes 2.05 1.53 2.58 2.27 0.00 0.00 0.0 no M I
NOESY13C 440 436 yes 2.16 1.58 2.75 2.35 0.00 0.00 0.0 no M I
NOESY13C 441 437 yes 1.68 1.33 2.03 1.75 0.00 0.00 0.0 no M I
NOESY13C 443 439 yes 2.68 1.78 3.57 3.52 0.00 0.05 0.0 no M I
NOESY13C 446 442 yes 1.95 1.48 2.43 1.76 0.00 0.00 0.0 no M I
NOESY13C 448 444 yes 2.48 1.71 3.25 2.45 0.00 0.00 0.0 no M I
NOESY13C 449 445 yes 2.80 1.82 3.77 3.43 0.00 0.05 0.0 no M L
NOESY13C 450 446 yes 2.44 1.70 3.18 2.95 0.00 0.07 0.0 no M I
NOESY13C 452 448 yes 2.06 1.53 2.59 2.16 0.00 0.00 0.0 no M Q
NOESY13C 453 449 yes 2.45 1.70 3.20 2.90 0.00 0.00 0.0 no M I
NOESY13C 454 450 yes 2.26 1.62 2.90 2.45 0.00 0.00 0.0 no M I
NOESY13C 455 451 yes 2.66 1.78 3.54 2.78 0.00 0.00 0.0 no M I
NOESY13C 456 452 yes 2.16 1.57 2.74 2.63 0.00 0.02 0.0 no M I
NOESY13C 457 453 yes 2.30 1.64 2.97 2.94 0.00 0.03 0.0 no M L
NOESY13C 459 454 yes 2.18 1.59 2.78 2.82 0.00 0.04 0.0 no M L
NOESY13C 461 456 yes 2.82 1.83 3.82 2.73 0.00 0.00 0.0 no M S
NOESY13C 462 457 yes 2.72 1.79 3.64 2.85 0.00 0.00 0.0 no M I
NOESY13C 463 458 yes 2.13 1.56 2.70 2.44 0.00 0.00 0.0 no M I
NOESY13C 465 459 yes 2.64 1.77 3.51 3.48 0.00 0.04 0.0 no M L
NOESY13C 466 460 yes 2.40 1.68 3.12 2.20 0.00 0.00 0.0 no M I
NOESY13C 468 462 yes 2.14 1.57 2.72 2.01 0.00 0.00 0.0 no M L
NOESY13C 469 463 yes 2.61 1.76 3.47 2.91 0.00 0.00 0.0 no M I
NOESY13C 470 464 yes 2.25 1.62 2.89 2.61 0.00 0.26 28.6 no M I
NOESY13C 473 467 yes 2.34 1.65 3.02 2.29 0.00 0.00 0.0 no M I
NOESY13C 474 468 yes 3.24 1.93 4.56 2.04 0.00 0.00 0.0 no M I
NOESY13C 476 470 yes 2.73 1.80 3.67 3.74 0.00 0.07 0.0 no M L
NOESY13C 480 474 yes 2.63 1.77 3.50 3.26 0.00 0.03 0.0 no M L
NOESY13C 482 476 yes 2.21 1.60 2.82 2.24 0.00 0.00 0.0 no M L
NOESY13C 484 478 yes 7.72 0.27 15.17 7.80 0.00 0.00 0.0 no S S
NOESY13C 486 480 yes 1.85 1.42 2.27 1.76 0.00 0.00 0.0 no M I
NOESY13C 488 482 yes 1.85 1.42 2.28 1.76 0.00 0.00 0.0 no M I
NOESY13C 490 484 yes 2.53 1.73 3.33 3.02 0.00 0.00 0.0 no M I
NOESY13C 492 486 yes 2.36 1.66 3.05 2.92 0.00 0.07 0.0 no S L
NOESY13C 493 487 yes 2.51 1.72 3.30 2.38 0.00 0.00 0.0 no M I
NOESY13C 496 489 yes 2.33 1.65 3.01 2.28 0.00 0.00 0.0 no M Q
NOESY13C 497 490 yes 1.99 1.49 2.48 2.35 0.00 0.03 0.0 no M L
NOESY13C 502 495 yes 2.35 1.66 3.04 2.91 0.00 0.00 0.0 no M I
NOESY13C 503 496 yes 2.73 1.80 3.67 2.81 0.00 0.00 0.0 no M I
NOESY13C 504 497 yes 2.88 1.84 3.91 2.98 0.00 0.00 0.0 no M L
NOESY13C 506 499 yes 2.37 1.67 3.07 2.50 0.00 0.00 0.0 no M Q
NOESY13C 507 500 yes 3.04 1.89 4.20 4.18 0.00 0.05 0.0 no M I
NOESY13C 509 501 yes 1.81 1.40 2.21 1.76 0.00 0.00 0.0 no M I
NOESY13C 510 502 yes 2.37 1.67 3.07 2.35 0.00 0.00 0.0 no M I
NOESY13C 511 503 yes 2.39 1.68 3.10 2.44 0.00 0.00 0.0 no M I
NOESY15N 1 504 yes 2.37 1.67 3.08 2.77 0.00 0.00 0.0 no M Q
NOESY15N 2 505 yes 2.71 1.79 3.62 3.50 0.00 0.00 0.0 no M Q
NOESY15N 3 506 yes 2.70 1.79 3.60 2.41 0.00 0.00 0.0 no M I
NOESY15N 4 507 yes 2.54 1.73 3.34 2.20 0.00 0.00 0.0 no M Q
NOESY15N 6 509 yes 2.71 1.79 3.63 2.55 0.00 0.00 0.0 no M I
NOESY15N 8 511 yes 2.98 1.87 4.09 3.16 0.02 0.00 0.0 no M Q
NOESY15N 9 512 yes 2.81 1.82 3.80 2.89 0.00 0.00 0.0 no M I
NOESY15N 13 516 yes 2.72 1.79 3.64 2.72 0.00 0.00 0.0 no M Q
NOESY15N 15 518 yes 2.81 1.82 3.79 3.69 0.00 0.00 0.0 no M S
NOESY15N 20 523 yes 2.29 1.64 2.95 1.87 0.00 0.00 0.0 no M Q
NOESY15N 22 525 yes 2.34 1.65 3.02 2.39 0.00 0.00 0.0 no M I
NOESY15N 27 530 yes 2.93 1.86 4.00 3.07 0.00 0.08 0.0 no M I
NOESY15N 33 536 yes 2.63 1.77 3.50 3.33 0.00 0.04 14.3 no M Q
NOESY15N 36 539 yes 2.85 1.84 3.87 2.55 0.00 0.00 0.0 no M Q
NOESY15N 37 540 yes 2.89 1.85 3.93 3.57 0.00 0.06 0.0 no M I
NOESY15N 39 542 yes 2.76 1.81 3.70 2.99 0.00 0.02 0.0 no M Q
NOESY15N 40 543 yes 2.24 1.61 2.87 2.48 0.00 0.00 0.0 no M I
NOESY15N 41 544 yes 3.21 1.92 4.49 4.49 0.00 0.02 0.0 no M I
NOESY15N 42 545 yes 2.74 1.80 3.67 2.48 0.00 0.00 0.0 no M Q
NOESY15N 43 546 yes 2.50 1.72 3.27 2.38 0.00 0.00 0.0 no M Q
NOESY15N 44 547 yes 2.54 1.73 3.35 2.92 0.00 0.00 0.0 no M I
NOESY15N 45 548 yes 2.74 1.80 3.68 2.91 0.00 0.00 0.0 no M Q
NOESY15N 46 549 yes 2.19 1.59 2.79 2.35 0.00 0.00 0.0 no M I
NOESY15N 47 550 yes 2.79 1.82 3.77 3.41 0.00 0.09 14.3 no M I
NOESY15N 49 552 yes 2.61 1.76 3.47 2.27 0.00 0.00 0.0 no M Q
NOESY15N 50 553 yes 2.43 1.69 3.17 2.47 0.00 0.00 0.0 no M Q
NOESY15N 51 554 yes 2.82 1.83 3.81 2.94 0.00 0.00 0.0 no M I
NOESY15N 53 556 yes 2.45 1.70 3.20 2.72 0.00 0.05 0.0 no M Q
NOESY15N 54 557 yes 3.07 1.89 4.24 3.01 0.00 0.00 0.0 no M I
NOESY15N 57 560 yes 2.83 1.83 3.84 3.09 0.00 0.00 0.0 no M I
NOESY15N 58 561 yes 3.00 1.88 4.13 3.67 0.00 0.00 0.0 no M I
NOESY15N 59 562 yes 2.73 1.80 3.66 3.64 0.00 0.04 0.0 no S Q
NOESY15N 60 563 yes 3.08 1.90 4.27 2.93 0.00 0.00 0.0 no M I
NOESY15N 61 564 yes 2.81 1.82 3.79 2.63 0.00 0.00 0.0 no M Q
NOESY15N 62 565 yes 3.10 1.90 4.31 4.12 0.00 0.02 0.0 no M S
NOESY15N 63 566 yes 2.55 1.74 3.36 2.62 0.00 0.00 0.0 no M I
NOESY15N 64 567 yes 3.23 1.93 4.54 4.06 0.00 0.00 0.0 no M I
NOESY15N 65 568 yes 3.08 1.89 4.26 3.75 0.00 0.00 0.0 no M I
NOESY15N 66 569 yes 2.68 1.78 3.58 3.05 0.00 0.00 0.0 no M Q
NOESY15N 67 570 yes 2.82 1.83 3.82 2.94 0.00 0.00 0.0 no M I
NOESY15N 68 571 yes 2.43 1.69 3.16 2.50 0.00 0.00 0.0 no M I
NOESY15N 69 572 yes 2.71 1.79 3.64 3.16 0.00 0.10 14.3 no M I
NOESY15N 70 573 yes 2.68 1.78 3.57 2.85 0.00 0.00 0.0 no M Q
NOESY15N 71 574 yes 2.33 1.65 3.01 2.25 0.00 0.00 0.0 no M Q
NOESY15N 72 575 yes 3.12 1.90 4.34 3.39 0.00 0.00 0.0 no M I
NOESY15N 75 578 yes 3.09 1.90 4.28 2.40 0.00 0.00 0.0 no M S
NOESY15N 79 582 yes 2.56 1.74 3.38 2.82 0.00 0.00 0.0 no M Q
NOESY15N 80 583 yes 1.95 1.47 2.43 1.73 0.00 0.00 0.0 no M I
NOESY15N 82 585 yes 3.09 1.90 4.28 3.54 0.00 0.00 0.0 no M Q
NOESY15N 84 587 yes 2.70 1.79 3.61 3.64 0.00 0.03 0.0 no M Q
NOESY15N 85 588 yes 2.22 1.61 2.84 2.49 0.00 0.00 0.0 no M I
NOESY15N 87 590 yes 2.57 1.75 3.40 2.66 0.00 0.00 0.0 no M Q
NOESY15N 89 592 yes 2.25 1.62 2.89 2.44 0.00 0.00 0.0 no M I
NOESY15N 93 596 yes 2.28 1.63 2.93 2.63 0.00 0.00 0.0 no M I
NOESY15N 95 598 yes 2.77 1.81 3.74 3.05 0.00 0.00 0.0 no M Q
NOESY15N 96 599 yes 2.30 1.64 2.96 2.78 0.00 0.00 0.0 no M I
NOESY15N 97 600 yes 1.88 1.44 2.32 1.73 0.00 0.00 0.0 no M I
NOESY15N 98 601 yes 2.73 1.80 3.66 2.83 0.00 0.00 0.0 no M I
NOESY15N 103 606 yes 2.98 1.87 4.08 3.39 0.00 0.00 0.0 no M I
NOESY15N 105 608 yes 2.93 1.86 4.01 4.02 0.00 0.03 0.0 no M L
NOESY15N 106 609 yes 2.43 1.69 3.17 2.65 0.00 0.00 0.0 no M I
NOESY15N 107 610 yes 2.60 1.76 3.45 3.07 0.00 0.00 0.0 no M Q
NOESY15N 108 611 yes 2.96 1.86 4.05 3.79 0.00 0.00 0.0 no M I
NOESY15N 110 613 yes 2.33 1.65 3.02 2.59 0.00 0.00 0.0 no M I
NOESY15N 111 614 yes 2.88 1.84 3.92 3.22 0.00 0.00 0.0 no M I
NOESY15N 114 617 yes 2.96 1.86 4.05 3.21 0.00 0.00 0.0 no M Q
NOESY15N 115 618 yes 2.53 1.73 3.34 2.31 0.00 0.00 0.0 no M I
NOESY15N 117 620 yes 3.19 1.92 4.46 3.55 0.00 0.00 0.0 no M I
NOESY15N 118 621 yes 3.05 1.89 4.22 3.95 0.00 0.00 0.0 no M I
NOESY15N 119 622 yes 2.66 1.77 3.54 2.59 0.00 0.00 0.0 no M Q
NOESY15N 120 623 yes 3.07 1.89 4.24 2.91 0.00 0.00 0.0 no M I
NOESY15N 122 625 yes 2.71 1.79 3.63 3.56 0.00 0.01 0.0 no M S
NOESY15N 123 626 yes 2.42 1.69 3.15 3.30 0.00 0.16 100.0 yes M Q
NOESY15N 126 629 yes 2.50 1.72 3.28 2.64 0.00 0.00 0.0 no M I
NOESY15N 128 631 yes 2.50 1.72 3.28 2.95 0.00 0.00 0.0 no M I
NOESY15N 129 632 yes 3.03 1.88 4.17 3.54 0.00 0.00 0.0 no M Q
NOESY15N 130 633 yes 2.58 1.75 3.41 3.24 0.00 0.05 0.0 no M Q
NOESY15N 131 634 yes 2.63 1.77 3.50 2.91 0.00 0.00 0.0 no M I
NOESY15N 132 635 yes 2.63 1.77 3.50 3.10 0.00 0.00 0.0 no M S
NOESY15N 133 636 yes 2.88 1.84 3.91 3.94 0.00 0.02 0.0 no M S
NOESY15N 134 637 yes 3.21 1.92 4.49 3.97 0.00 0.04 0.0 no M S
NOESY15N 135 638 yes 1.86 1.43 2.29 2.25 0.00 0.02 0.0 no M I
NOESY15N 136 639 yes 2.70 1.79 3.62 2.62 0.00 0.00 0.0 no M Q
NOESY15N 138 641 yes 2.74 1.80 3.68 2.76 0.00 0.00 0.0 no M I
NOESY15N 140 643 yes 2.38 1.67 3.09 2.27 0.00 0.05 0.0 no M I
NOESY15N 141 644 yes 2.75 1.80 3.70 3.07 0.00 0.08 0.0 no M I
NOESY15N 143 646 yes 3.10 1.90 4.29 4.33 0.00 0.04 0.0 no M L
NOESY15N 145 648 yes 2.90 1.85 3.96 2.69 0.00 0.00 0.0 no M I
NOESY15N 147 650 yes 2.88 1.84 3.91 2.94 0.00 0.00 0.0 no M I
NOESY15N 148 651 yes 2.80 1.82 3.78 3.33 0.00 0.00 0.0 no M I
NOESY15N 149 652 yes 2.67 1.78 3.56 2.77 0.00 0.00 0.0 no M I
NOESY15N 150 653 yes 2.84 1.83 3.85 3.04 0.00 0.00 0.0 no M L
NOESY15N 152 655 yes 2.17 1.58 2.76 2.28 0.00 0.00 0.0 no M Q
NOESY15N 153 656 yes 2.57 1.74 3.39 2.54 0.00 0.00 0.0 no M I
NOESY15N 154 657 yes 2.17 1.58 2.76 2.19 0.00 0.00 0.0 no M Q
NOESY15N 156 659 yes 2.98 1.87 4.09 3.23 0.00 0.00 0.0 no M Q
NOESY15N 157 660 yes 2.30 1.64 2.96 2.37 0.00 0.00 0.0 no M I
NOESY15N 159 662 yes 2.46 1.70 3.21 2.41 0.00 0.00 0.0 no M Q
NOESY15N 160 663 yes 2.86 1.84 3.88 2.84 0.00 0.00 0.0 no M I
NOESY15N 161 664 yes 2.60 1.75 3.44 3.50 0.00 0.07 0.0 no M I
NOESY15N 162 665 yes 3.11 1.90 4.31 2.48 0.00 0.00 0.0 no M Q
NOESY15N 164 667 yes 2.57 1.74 3.40 3.04 0.00 0.00 0.0 no M Q
NOESY15N 165 668 yes 2.51 1.72 3.31 2.62 0.00 0.00 0.0 no M I
NOESY15N 166 669 yes 2.62 1.76 3.49 2.09 0.00 0.00 0.0 no M I
NOESY15N 172 675 yes 1.65 1.31 1.99 1.73 0.00 0.00 0.0 no M I
NOESY15N 173 676 yes 3.31 1.94 4.68 3.21 0.00 0.00 0.0 no M S
NOESY15N 174 677 yes 2.93 1.86 4.00 3.32 0.00 0.00 0.0 no M Q
NOESY15N 176 679 yes 2.97 1.87 4.08 3.54 0.00 0.00 0.0 no M I
NOESY15N 177 680 yes 2.97 1.87 4.07 3.40 0.00 0.00 0.0 no M Q
NOESY15N 178 681 yes 2.74 1.80 3.68 3.31 0.00 0.00 0.0 no M I
NOESY15N 180 683 yes 2.29 1.64 2.95 2.83 0.00 0.00 0.0 no M I
NOESY15N 181 684 yes 2.80 1.82 3.77 2.00 0.00 0.00 0.0 no M Q
NOESY15N 184 687 yes 3.01 1.88 4.14 3.70 0.00 0.00 0.0 no M I
NOESY15N 186 689 yes 2.83 1.83 3.83 3.44 0.00 0.00 0.0 no M L
NOESY15N 188 691 yes 2.25 1.62 2.89 2.28 0.00 0.00 0.0 no M I
NOESY15N 189 692 yes 2.71 1.79 3.64 3.11 0.00 0.00 0.0 no M Q
NOESY15N 192 695 yes 2.71 1.79 3.62 2.61 0.00 0.00 0.0 no M Q
NOESY15N 195 698 yes 2.08 1.54 2.62 2.34 0.00 0.00 0.0 no M Q
NOESY15N 197 700 yes 2.38 1.67 3.09 2.18 0.00 0.00 0.0 no M I
NOESY15N 198 701 yes 2.67 1.78 3.56 2.93 0.00 0.00 0.0 no M L
NOESY15N 200 703 yes 3.01 1.88 4.14 4.13 0.00 0.02 0.0 no M Q
NOESY15N 201 704 yes 2.42 1.69 3.15 2.92 0.00 0.00 0.0 no M I
NOESY15N 202 705 yes 2.32 1.65 2.99 2.51 0.00 0.00 0.0 no M I
NOESY15N 203 706 yes 3.22 1.92 4.52 2.46 0.03 0.00 0.0 no M Q
NOESY15N 204 707 yes 2.99 1.87 4.11 3.14 0.00 0.00 0.0 no M L
NOESY15N 205 708 yes 3.19 1.92 4.47 3.51 0.00 0.00 0.0 no M S
NOESY15N 208 711 yes 2.58 1.75 3.42 3.30 0.00 0.02 0.0 no M Q
NOESY15N 210 713 yes 2.86 1.84 3.88 3.76 0.00 0.01 0.0 no M Q
NOESY15N 212 715 yes 2.30 1.64 2.96 2.76 0.00 0.00 0.0 no M I
NOESY15N 214 717 yes 2.67 1.78 3.56 3.14 0.00 0.08 14.3 no M S
NOESY15N 215 718 yes 2.61 1.76 3.45 2.93 0.00 0.00 0.0 no M I
NOESY15N 216 719 yes 2.89 1.84 3.93 2.93 0.00 0.00 0.0 no M I
NOESY15N 217 720 yes 2.32 1.65 2.99 2.17 0.00 0.00 0.0 no M Q
NOESY13C 27 26 no 2.57 1.74 3.40 5.11 0.00 1.72 100.0 yes M L
NOESY13C 29 28 no 2.84 1.83 3.85 5.45 0.00 1.60 100.0 yes M L
NOESY13C 35 34 no 2.69 1.79 3.60 5.06 0.00 1.46 100.0 yes M L
NOESY13C 38 37 no 2.67 1.78 3.57 3.72 0.00 0.22 71.4 yes M I
NOESY13C 46 45 no 2.79 1.82 3.76 6.38 0.00 2.62 100.0 yes M Q
NOESY13C 50 49 no 2.08 1.54 2.63 2.99 0.00 0.36 100.0 yes M I
NOESY13C 61 60 no 2.23 1.61 2.85 4.60 0.00 1.75 100.0 yes M L
NOESY13C 117 116 no 2.68 1.78 3.58 6.27 0.00 2.69 100.0 yes M Q
NOESY13C 145 144 no 2.57 1.74 3.39 4.04 0.00 0.65 100.0 yes M I
NOESY13C 152 151 no 2.68 1.78 3.58 4.43 0.00 0.85 100.0 yes M L
NOESY13C 153 152 no 2.56 1.74 3.38 3.39 0.00 0.39 28.6 no M L
NOESY13C 175 171 no 3.02 1.88 4.17 6.03 0.00 1.86 100.0 yes M S
NOESY13C 186 182 no 2.57 1.75 3.40 3.74 0.00 0.34 100.0 yes M I
NOESY13C 249 245 no 2.14 1.57 2.71 3.21 0.00 0.49 100.0 yes S I
NOESY13C 259 255 no 2.38 1.67 3.09 6.27 0.00 3.17 100.0 yes M S
NOESY13C 275 271 no 2.98 1.87 4.10 4.96 0.00 0.87 100.0 yes M Q
NOESY13C 279 275 no 1.95 1.48 2.43 6.69 0.00 4.26 100.0 yes M Q
NOESY13C 290 286 no 2.18 1.59 2.78 2.98 0.00 0.21 85.7 yes M L
NOESY13C 300 296 no 2.95 1.86 4.04 4.63 0.00 0.77 85.7 yes M I
NOESY13C 307 303 no 2.58 1.75 3.41 6.60 0.00 3.19 100.0 yes M S
NOESY13C 335 331 no 2.40 1.68 3.12 3.30 0.00 0.19 100.0 yes M Q
NOESY13C 338 334 no 2.85 1.84 3.87 4.88 0.00 1.00 100.0 yes M L
NOESY13C 411 407 no 2.82 1.83 3.82 5.44 0.00 1.62 100.0 yes M S
NOESY13C 444 440 no 3.09 1.90 4.28 9.66 0.00 5.38 100.0 yes M L
NOESY13C 467 461 no 2.80 1.82 3.78 3.94 0.00 0.25 71.4 yes M L
NOESY13C 471 465 no 2.42 1.69 3.15 4.81 0.00 1.66 100.0 yes M S
NOESY13C 483 477 no 2.09 1.54 2.63 4.57 0.00 1.94 100.0 yes M L
NOESY13C 489 483 no 2.94 1.86 4.02 4.41 0.00 0.39 100.0 yes M L
NOESY15N 7 510 no 2.48 1.71 3.25 3.53 0.00 0.39 71.4 yes M Q
NOESY15N 19 522 no 2.58 1.75 3.41 3.73 0.00 0.32 100.0 yes M Q
NOESY15N 55 558 no 2.71 1.79 3.62 4.43 0.00 0.81 100.0 yes M Q
NOESY15N 86 589 no 2.82 1.83 3.81 4.41 0.00 0.72 71.4 yes M I
NOESY15N 91 594 no 2.90 1.85 3.95 4.12 0.00 0.17 71.4 yes M I
NOESY15N 116 619 no 2.62 1.76 3.48 3.71 0.00 0.23 100.0 yes M I
NOESY15N 144 647 no 2.63 1.76 3.49 3.71 0.00 0.22 100.0 yes M I
NOESY15N 182 685 no 2.60 1.75 3.44 3.62 0.00 0.18 100.0 yes M I
NOESY15N 194 697 no 2.78 1.81 3.75 4.19 0.00 0.44 100.0 yes M S
NOESY15N 196 699 no 2.15 1.57 2.73 2.97 0.00 0.24 85.7 yes M I
NOESY15N 207 710 no 2.71 1.79 3.63 5.63 0.00 2.01 100.0 yes M S
NOESY15N 209 712 no 2.41 1.68 3.14 4.18 0.00 1.04 100.0 yes M I
NOESY15N 211 714 no 2.60 1.75 3.44 14.79 0.00 11.35 100.0 yes S L
NOESY15N 213 716 no 2.27 1.62 2.91 3.57 0.00 0.66 100.0 yes M Q
NOESY15N 219 722 no 2.72 1.79 3.64 4.82 0.00 1.37 85.7 yes S L
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