============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 33.677 -77.352 43.551 -99.200 -91.000 HIS 6 0.900 34.194 -78.010 48.459 -99.200 -91.000 PHE 10 1.000 49.593 -82.793 45.340 -99.200 -91.000 TYR 17 0.840 44.054 -75.572 51.896 -99.200 -91.000 TYR 21 0.840 39.933 -77.599 55.682 -99.200 -91.000 PHE 23 1.000 46.995 -84.279 60.719 -99.200 -91.000 TYR 62 0.840 36.701 -91.407 72.647 -99.200 -91.000 PHE 64 1.000 38.538 -98.391 70.103 -99.200 -91.000 PHE 95 1.000 51.718-110.027 60.082 -99.200 -91.000 TYR 97 0.840 44.303-118.312 57.370 -99.200 -91.000 TYR 99 0.840 52.226-112.586 55.974 -99.200 -91.000 TYR 101 0.840 55.418-113.074 62.053 -99.200 -91.000 TYR 119 0.840 41.265 -94.475 53.901 -99.200 -91.000 TYR 124 0.840 36.258 -94.608 46.469 -99.200 -91.000 PHE 134 1.000 47.588 -98.729 65.569 -99.200 -91.000 TYR 146 0.840 56.511 -98.337 66.137 -99.200 -91.000 TYR 153 0.840 55.100 -88.845 60.156 -99.200 -91.000 TYR 154 0.840 54.760 -96.089 60.353 -99.200 -91.000 TYR 157 0.840 55.615 -90.527 68.210 -99.200 -91.000 HIS 176 0.900 61.179 -88.527 83.109 -99.200 -91.000 PHE 177 1.000 61.193 -89.817 78.341 -99.200 -91.000 HIS 183 0.900 64.115 -97.544 79.846 -99.200 -91.000 TRP 188 1.040 51.401-103.805 85.258 -99.200 -91.000 TRP6 188 1.020 49.386-102.812 86.017 -99.200 -91.000 PHE 194 1.000 57.148 -90.801 84.151 -99.200 -91.000 HIS 198 0.900 56.364 -86.687 84.640 -99.200 -91.000 PHE 207 1.000 43.669 -86.205 85.160 -99.200 -91.000 PHE 222 1.000 46.173-102.625 75.381 -99.200 -91.000 PHE 223 1.000 47.207-105.338 82.014 -99.200 -91.000