============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 6 1.000 -11.103 -1.453 32.271 -99.200 -91.000 HIS 16 0.900 0.700 -12.797 28.507 -99.200 -91.000 HIS 62 0.900 10.700 6.889 29.722 -99.200 -91.000 PHE 69 1.000 18.623 -0.052 37.516 -99.200 -91.000 HIS 84 0.900 0.917 1.307 47.973 -99.200 -91.000 PHE 86 1.000 2.606 0.117 41.859 -99.200 -91.000 PHE 89 1.000 4.805 0.578 29.490 -99.200 -91.000 PHE 94 1.000 13.309 -3.844 25.010 -99.200 -91.000 TYR 105 0.840 12.248 -8.361 27.751 -99.200 -91.000 PHE 110 1.000 19.376 0.761 32.668 -99.200 -91.000 TRP 115 1.040 13.854 -4.367 36.431 -99.200 -91.000 TRP6 115 1.020 12.681 -2.568 35.450 -99.200 -91.000 HIS 122 0.900 8.952 3.089 18.704 -99.200 -91.000 HIS 141 0.900 7.010 -17.271 34.443 -99.200 -91.000 TYR 161 0.840 5.042 2.315 12.232 -99.200 -91.000 HIS 172 0.900 4.806 -12.399 16.554 -99.200 -91.000 PHE 175 1.000 6.993 -10.823 25.047 -99.200 -91.000 PHE 179 1.000 -2.363 -3.515 19.538 -99.200 -91.000 PHE 191 1.000 -4.145 -8.409 20.948 -99.200 -91.000 HIS 193 0.900 -6.825 -1.092 22.273 -99.200 -91.000 TYR 211 0.840 0.257 16.966 27.434 -99.200 -91.000 TYR 245 0.840 -4.705 14.000 34.909 -99.200 -91.000 TRP 250 1.040 -14.006 3.369 37.536 -99.200 -91.000 TRP6 250 1.020 -12.930 1.323 37.033 -99.200 -91.000 TYR 253 0.840 -14.403 0.375 32.614 -99.200 -91.000