============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 13 1.040 31.593 10.633 9.537 -99.200 -91.000 TRP6 13 1.020 33.681 11.533 10.196 -99.200 -91.000 PHE 32 1.000 43.795 -12.658 23.961 -99.200 -91.000 PHE 36 1.000 45.577 -10.707 37.837 -99.200 -91.000 TYR 37 0.840 49.138 -7.061 37.974 -99.200 -91.000 TRP 48 1.040 43.434 -9.963 19.106 -99.200 -91.000 TRP6 48 1.020 41.560 -8.539 19.219 -99.200 -91.000 TRP 53 1.040 42.803 -0.191 19.145 -99.200 -91.000 TRP6 53 1.020 43.175 1.081 21.135 -99.200 -91.000 HIS 70 0.900 52.037 0.756 32.356 -99.200 -91.000 TYR 73 0.840 51.946 -3.676 35.530 -99.200 -91.000 TRP 91 1.040 47.957 15.876 23.540 -99.200 -91.000 TRP6 91 1.020 48.232 13.969 22.151 -99.200 -91.000 HIS 97 0.900 39.367 -2.424 33.136 -99.200 -91.000 HIS 105 0.900 45.797 -15.431 46.169 -99.200 -91.000 PHE 137 1.000 37.974 13.411 13.492 -99.200 -91.000 PHE 145 1.000 41.229 7.428 19.110 -99.200 -91.000 TYR 148 0.840 43.524 4.150 30.511 -99.200 -91.000 TYR 165 0.840 49.174 11.869 27.748 -99.200 -91.000 TYR 183 0.840 23.297 -6.712 33.369 -99.200 -91.000 PHE 192 1.000 26.352 10.907 30.961 -99.200 -91.000 TYR 196 0.840 37.560 9.299 43.163 -99.200 -91.000 PHE 201 1.000 34.575 15.051 29.501 -99.200 -91.000 TYR 204 0.840 30.826 18.699 25.212 -99.200 -91.000 TYR 212 0.840 25.609 15.487 17.709 -99.200 -91.000 TYR 218 0.840 20.823 12.549 29.840 -99.200 -91.000 PHE 220 1.000 23.230 13.206 35.463 -99.200 -91.000 TYR 225 0.840 34.886 1.303 44.110 -99.200 -91.000 HIS 230 0.900 36.132 7.116 36.786 -99.200 -91.000 TRP 233 1.040 43.097 9.887 32.158 -99.200 -91.000 TRP6 233 1.020 44.997 10.858 31.127 -99.200 -91.000 HIS 234 0.900 38.903 13.843 40.528 -99.200 -91.000 TYR 238 0.840 45.932 16.289 32.758 -99.200 -91.000 PHE 244 1.000 28.824 1.412 35.649 -99.200 -91.000 PHE 248 1.000 28.875 1.185 41.677 -99.200 -91.000 TYR 251 0.840 28.465 -3.350 39.575 -99.200 -91.000 HIS 256 0.900 35.637 -7.252 39.359 -99.200 -91.000 HIS 271 0.900 23.097 -0.594 27.852 -99.200 -91.000 PHE 275 1.000 26.966 3.093 27.743 -99.200 -91.000 TYR 282 0.840 35.377 12.885 24.455 -99.200 -91.000