============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 36 0.840 9.365 26.138 -1.212 -99.200 -91.000 TRP 39 1.040 4.998 38.633 -4.997 -99.200 -91.000 TRP6 39 1.020 6.328 40.095 -6.289 -99.200 -91.000 TYR 53 0.840 2.123 31.174 2.532 -99.200 -91.000 PHE 66 1.000 -1.552 44.353 -1.041 -99.200 -91.000 PHE 75 1.000 7.264 33.038 -10.447 -99.200 -91.000 TYR 90 0.840 4.398 46.659 -2.280 -99.200 -91.000 PHE 91 1.000 12.105 42.789 -0.312 -99.200 -91.000 TRP 93 1.040 14.059 35.509 -0.060 -99.200 -91.000 TRP6 93 1.020 13.895 35.967 2.255 -99.200 -91.000 HIS 97 0.900 15.757 26.437 -8.299 -99.200 -91.000 PHE 98 1.000 23.305 26.856 -1.224 -99.200 -91.000 PHE 102 1.000 16.771 38.388 -0.269 -99.200 -91.000 PHE 122 1.000 16.194 76.168 11.506 -99.200 -91.000 PHE 139 1.000 15.960 71.194 9.000 -99.200 -91.000 PHE 143 1.000 9.755 68.293 -1.178 -99.200 -91.000 TYR 144 0.840 2.983 63.975 -4.432 -99.200 -91.000 TRP 152 1.040 22.262 76.185 0.256 -99.200 -91.000 TRP6 152 1.020 21.793 77.154 2.365 -99.200 -91.000 TRP 167 1.040 16.765 65.091 -1.762 -99.200 -91.000 TRP6 167 1.020 19.032 64.681 -2.285 -99.200 -91.000 TYR 177 0.840 8.187 61.984 -2.079 -99.200 -91.000 TYR 190 0.840 28.001 82.912 9.255 -99.200 -91.000 HIS 193 0.900 31.032 86.164 1.360 -99.200 -91.000 TYR 196 0.840 25.827 83.718 4.835 -99.200 -91.000 HIS 202 0.900 7.111 71.154 -5.114 -99.200 -91.000 PHE 213 1.000 21.228 83.607 8.084 -99.200 -91.000