============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 13 1.040 5.379 19.696 -11.180 -99.200 -91.000 TRP6 13 1.020 6.225 20.437 -9.109 -99.200 -91.000 TYR 17 0.840 -0.698 12.294 -6.904 -99.200 -91.000 TRP 53 1.040 -7.016 22.894 -17.581 -99.200 -91.000 TRP6 53 1.020 -8.670 23.984 -16.318 -99.200 -91.000 HIS 74 0.900 -0.530 23.122 -7.468 -99.200 -91.000 TRP 115 1.040 -8.954 16.277 2.345 -99.200 -91.000 TRP6 115 1.020 -8.549 14.051 2.998 -99.200 -91.000 HIS 118 0.900 0.722 20.546 2.896 -99.200 -91.000 PHE 122 1.000 -2.664 12.991 3.613 -99.200 -91.000 TRP 126 1.040 3.497 14.331 11.304 -99.200 -91.000 TRP6 126 1.020 5.233 15.413 12.456 -99.200 -91.000 HIS 149 0.900 24.977 15.506 -4.330 -99.200 -91.000 TYR 152 0.840 22.205 20.823 -8.749 -99.200 -91.000 TRP 160 1.040 8.022 29.667 -2.614 -99.200 -91.000 TRP6 160 1.020 5.830 30.199 -1.949 -99.200 -91.000 TRP 162 1.040 13.587 20.206 -2.432 -99.200 -91.000 TRP6 162 1.020 15.795 19.542 -1.947 -99.200 -91.000 HIS 165 0.900 7.743 16.489 2.790 -99.200 -91.000 TRP 183 1.040 18.852 31.824 0.888 -99.200 -91.000 TRP6 183 1.020 18.637 29.980 -0.537 -99.200 -91.000 PHE 203 1.000 5.969 27.623 15.487 -99.200 -91.000 HIS 209 0.900 16.833 26.703 14.642 -99.200 -91.000 PHE 224 1.000 16.525 18.227 19.183 -99.200 -91.000 HIS 242 0.900 17.697 8.725 19.414 -99.200 -91.000 TRP 250 1.040 20.861 16.475 12.951 -99.200 -91.000 TRP6 250 1.020 18.579 16.156 12.494 -99.200 -91.000 HIS 256 0.900 12.165 1.694 22.786 -99.200 -91.000 PHE 272 1.000 -9.304 13.603 -2.639 -99.200 -91.000