============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 6 0.840 26.125 50.310 49.957 -99.200 -91.000 TRP 48 1.040 22.117 19.938 51.522 -99.200 -91.000 TRP6 48 1.020 21.621 22.109 50.722 -99.200 -91.000 TYR 65 0.840 20.696 26.054 35.518 -99.200 -91.000 TYR 74 0.840 24.561 31.802 42.833 -99.200 -91.000 TYR 83 0.840 33.233 43.121 36.291 -99.200 -91.000 PHE 85 1.000 38.149 34.610 41.014 -99.200 -91.000 TYR 93 0.840 35.984 34.879 31.430 -99.200 -91.000 TRP 95 1.040 27.474 36.035 36.972 -99.200 -91.000 TRP6 95 1.020 25.666 35.105 38.179 -99.200 -91.000 PHE 103 1.000 32.573 34.948 43.522 -99.200 -91.000 HIS 116 0.900 39.780 46.242 29.521 -99.200 -91.000 PHE 158 1.000 25.649 43.988 44.298 -99.200 -91.000 HIS 161 0.900 23.008 49.108 37.491 -99.200 -91.000 HIS 163 0.900 29.817 49.008 36.118 -99.200 -91.000 PHE 164 1.000 37.437 45.560 40.080 -99.200 -91.000 PHE 165 1.000 33.525 53.148 37.887 -99.200 -91.000 TRP 174 1.040 29.833 55.358 35.375 -99.200 -91.000 TRP6 174 1.020 28.837 54.252 37.216 -99.200 -91.000 HIS 178 0.900 25.143 55.814 34.839 -99.200 -91.000 HIS 190 0.900 43.736 49.151 48.985 -99.200 -91.000 PHE 193 1.000 40.238 41.943 50.736 -99.200 -91.000 PHE 199 1.000 28.380 38.039 51.481 -99.200 -91.000 HIS 202 0.900 28.634 40.470 59.733 -99.200 -91.000