============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 3 1.000 26.650 19.326 40.744 -99.200 -91.000 PHE 18 1.000 31.383 21.018 47.535 -99.200 -91.000 TYR 36 0.840 36.247 12.007 28.324 -99.200 -91.000 HIS 40 0.900 31.129 27.599 37.447 -99.200 -91.000 PHE 49 1.000 14.489 26.039 47.259 -99.200 -91.000 HIS 62 0.900 24.151 21.284 31.510 -99.200 -91.000 TYR 75 0.840 23.194 10.731 37.926 -99.200 -91.000 TYR 95 0.840 13.721 23.864 43.329 -99.200 -91.000 TYR 98 0.840 19.487 15.539 37.865 -99.200 -91.000 TYR 99 0.840 19.617 21.414 31.750 -99.200 -91.000 TRP 108 1.040 37.163 18.323 25.102 -99.200 -91.000 TRP6 108 1.020 38.174 16.476 24.030 -99.200 -91.000 PHE 113 1.000 32.978 15.303 24.177 -99.200 -91.000