============================================================================= 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. HIS 4 0.900 18.090 4.087 19.317 -99.200 -91.000 HIS 15 0.900 22.008 17.525 5.386 -99.200 -91.000 PHE 35 1.000 31.635 8.897 19.697 -99.200 -91.000 HIS 95 0.900 43.469 8.073 18.037 -99.200 -91.000 PHE 107 1.000 33.192 28.271 13.720 -99.200 -91.000 TYR 115 0.840 26.498 33.834 9.943 -99.200 -91.000 TYR 126 0.840 29.728 44.213 3.301 -99.200 -91.000 HIS 129 0.900 35.488 46.820 7.508 -99.200 -91.000 TRP 167 1.040 35.259 52.792 12.278 -99.200 -91.000 TRP6 167 1.020 34.914 50.947 13.722 -99.200 -91.000 TYR 174 0.840 20.946 44.643 14.873 -99.200 -91.000 PHE 177 1.000 23.390 37.723 10.796 -99.200 -91.000 HIS 182 0.900 18.848 28.553 8.985 -99.200 -91.000 HIS 193 0.900 22.185 47.906 24.540 -99.200 -91.000 PHE 206 1.000 39.072 48.394 11.210 -99.200 -91.000