============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 17 0.840 -0.392 5.625 38.367 -99.200 -91.000 HIS 41 0.900 7.175 8.563 44.024 -99.200 -91.000 HIS 47 0.900 3.221 -3.361 45.175 -99.200 -91.000 PHE 51 1.000 -4.858 -4.588 40.267 -99.200 -91.000 HIS 53 0.900 -1.538 -1.832 29.041 -99.200 -91.000 TRP 56 1.040 11.590 -4.853 36.295 -99.200 -91.000 TRP6 56 1.020 13.785 -5.368 35.580 -99.200 -91.000 TYR 62 0.840 23.015 9.327 36.812 -99.200 -91.000 PHE 96 1.000 18.264 19.435 33.657 -99.200 -91.000 TYR 127 0.840 22.124 22.136 21.383 -99.200 -91.000 PHE 149 1.000 -5.757 28.112 20.892 -99.200 -91.000 TYR 156 0.840 -17.074 28.854 20.827 -99.200 -91.000 HIS 165 0.900 -2.814 23.340 12.694 -99.200 -91.000 TYR 167 0.840 0.642 23.917 15.333 -99.200 -91.000 HIS 172 0.900 4.856 25.235 30.030 -99.200 -91.000 TRP 180 1.040 -6.491 33.227 19.621 -99.200 -91.000 TRP6 180 1.020 -8.529 32.102 20.026 -99.200 -91.000 PHE 191 1.000 -15.694 23.776 12.141 -99.200 -91.000 TYR 216 0.840 -2.532 32.116 40.002 -99.200 -91.000 TYR 226 0.840 1.181 15.836 41.123 -99.200 -91.000 TYR 227 0.840 -2.192 13.171 39.452 -99.200 -91.000 TYR 248 0.840 3.490 14.740 19.423 -99.200 -91.000 PHE 253 1.000 20.910 25.785 19.809 -99.200 -91.000 TYR 281 0.840 10.161 26.844 10.334 -99.200 -91.000 PHE 304 1.000 25.634 36.144 26.933 -99.200 -91.000 PHE 308 1.000 24.286 26.397 30.464 -99.200 -91.000