============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 29 0.840 24.399 13.973 38.705 -99.200 -91.000 PHE 33 1.000 15.700 4.764 30.003 -99.200 -91.000 HIS 45 0.900 19.882 -9.998 26.030 -99.200 -91.000 PHE 47 1.000 17.028 -0.612 28.009 -99.200 -91.000 HIS 48 0.900 20.138 -0.324 20.929 -99.200 -91.000 HIS 50 0.900 15.115 0.601 17.823 -99.200 -91.000 HIS 73 0.900 19.777 1.649 17.354 -99.200 -91.000 TRP 74 1.040 14.309 9.828 19.435 -99.200 -91.000 TRP6 74 1.020 14.581 10.688 21.619 -99.200 -91.000 HIS 82 0.900 24.576 1.685 18.862 -99.200 -91.000 TYR 84 0.840 31.509 3.673 23.962 -99.200 -91.000 TRP 86 1.040 30.192 7.042 27.736 -99.200 -91.000 TRP6 86 1.020 29.316 5.097 28.760 -99.200 -91.000 HIS 91 0.900 22.208 5.661 16.107 -99.200 -91.000 HIS 102 0.900 23.413 -19.584 34.710 -99.200 -91.000 HIS 117 0.900 13.731 18.234 31.160 -99.200 -91.000 HIS 124 0.900 10.485 9.355 20.378 -99.200 -91.000 HIS 129 0.900 18.247 -4.375 19.126 -99.200 -91.000 HIS 135 0.900 27.309 1.117 24.373 -99.200 -91.000 HIS 138 0.900 35.215 -2.649 12.955 -99.200 -91.000