============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 29 0.840 44.355 2.556 16.993 -99.200 -91.000 TYR 37 0.840 30.009 24.336 6.902 -99.200 -91.000 PHE 51 1.000 30.755 9.989 11.236 -99.200 -91.000 PHE 55 1.000 31.702 5.236 14.199 -99.200 -91.000 PHE 63 1.000 29.238 22.685 10.638 -99.200 -91.000 PHE 80 1.000 26.475 24.399 19.815 -99.200 -91.000 HIS 90 0.900 37.540 31.679 10.353 -99.200 -91.000 PHE 92 1.000 40.761 39.278 10.051 -99.200 -91.000 PHE 113 1.000 37.312 23.142 20.843 -99.200 -91.000 HIS 120 0.900 45.365 29.293 5.373 -99.200 -91.000 PHE 126 1.000 44.505 40.305 4.111 -99.200 -91.000 TYR 146 0.840 41.079 30.476 23.504 -99.200 -91.000 PHE 168 1.000 41.116 20.318 24.966 -99.200 -91.000 PHE 187 1.000 54.865 25.499 22.847 -99.200 -91.000 TYR 198 0.840 40.783 12.647 4.952 -99.200 -91.000