============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 28.588 87.641 13.019 -99.200 -91.000 TYR 5 0.840 31.307 93.151 17.865 -99.200 -91.000 PHE 13 1.000 24.857 103.332 33.676 -99.200 -91.000 PHE 60 1.000 33.833 127.955 24.417 -99.200 -91.000 HIS 65 0.900 21.170 122.993 14.812 -99.200 -91.000 TYR 78 0.840 42.599 121.334 24.097 -99.200 -91.000 TYR 116 0.840 17.382 109.737 28.643 -99.200 -91.000 TYR 147 0.840 26.624 106.507 29.454 -99.200 -91.000 HIS 168 0.900 20.411 107.172 17.951 -99.200 -91.000 TYR 174 0.840 15.352 99.231 9.537 -99.200 -91.000 HIS 202 0.900 10.411 112.076 41.854 -99.200 -91.000 TYR 212 0.840 21.338 98.633 30.437 -99.200 -91.000 TRP 215 1.040 26.964 102.183 26.968 -99.200 -91.000 TRP6 215 1.020 26.925 100.142 28.197 -99.200 -91.000 HIS 228 0.900 13.858 108.035 12.637 -99.200 -91.000 HIS 229 0.900 18.957 107.092 12.977 -99.200 -91.000 HIS 233 0.900 21.876 115.653 7.693 -99.200 -91.000 HIS 243 0.900 18.738 115.462 16.799 -99.200 -91.000 HIS 247 0.900 16.211 111.382 15.255 -99.200 -91.000 HIS 253 0.900 4.112 108.729 11.039 -99.200 -91.000 TYR 257 0.840 9.318 103.657 2.784 -99.200 -91.000 PHE 282 1.000 0.131 107.803 16.406 -99.200 -91.000 PHE 284 1.000 7.307 103.905 24.693 -99.200 -91.000 TYR 315 0.840 18.790 106.792 2.343 -99.200 -91.000 TRP 316 1.040 20.453 98.188 0.903 -99.200 -91.000 TRP6 316 1.020 19.693 97.172 2.899 -99.200 -91.000 PHE 334 1.000 0.943 119.141 7.332 -99.200 -91.000