============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 33 0.840 38.606 46.189 66.746 -99.200 -91.000 TYR 42 0.840 30.210 42.686 74.706 -99.200 -91.000 PHE 53 1.000 26.936 46.055 78.488 -99.200 -91.000 TRP 55 1.040 20.978 48.225 69.262 -99.200 -91.000 TRP6 55 1.020 20.711 49.368 67.211 -99.200 -91.000 HIS 60 0.900 32.241 56.307 69.714 -99.200 -91.000 HIS 97 0.900 23.370 34.081 58.750 -99.200 -91.000 TYR 110 0.840 26.613 18.365 52.560 -99.200 -91.000 HIS 111 0.900 28.113 14.783 62.353 -99.200 -91.000 TYR 126 0.840 28.146 29.923 64.290 -99.200 -91.000 PHE 147 1.000 38.747 25.899 73.614 -99.200 -91.000 PHE 156 1.000 49.109 32.832 71.816 -99.200 -91.000 TYR 162 0.840 49.557 21.988 72.063 -99.200 -91.000 HIS 186 0.900 39.077 36.480 72.254 -99.200 -91.000 TYR 187 0.840 36.805 29.671 70.352 -99.200 -91.000 TYR 220 0.840 31.665 43.032 42.023 -99.200 -91.000 HIS 221 0.900 25.270 42.373 43.911 -99.200 -91.000 HIS 234 0.900 43.611 50.358 58.229 -99.200 -91.000 PHE 236 1.000 43.279 48.977 64.752 -99.200 -91.000 PHE 245 1.000 42.170 47.456 71.225 -99.200 -91.000 TRP 252 1.040 46.546 38.475 69.880 -99.200 -91.000 TRP6 252 1.020 44.217 38.675 70.218 -99.200 -91.000 PHE 253 1.000 47.406 45.098 62.532 -99.200 -91.000 HIS 262 0.900 35.546 54.829 72.634 -99.200 -91.000 HIS 264 0.900 30.538 53.148 74.089 -99.200 -91.000