============================================================================= 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 28 1.000 22.734 -26.804 13.974 -99.200 -91.000 TRP 29 1.040 14.883 -23.956 20.302 -99.200 -91.000 TRP6 29 1.020 14.688 -25.850 21.706 -99.200 -91.000 HIS 35 0.900 4.751 -19.027 6.781 -99.200 -91.000 PHE 42 1.000 13.669 -20.780 7.995 -99.200 -91.000 PHE 60 1.000 9.779 -7.679 13.547 -99.200 -91.000 PHE 63 1.000 19.203 -11.596 7.057 -99.200 -91.000 HIS 73 0.900 12.639 -8.623 17.349 -99.200 -91.000 TYR 80 0.840 21.149 -13.078 11.753 -99.200 -91.000 HIS 92 0.900 24.613 -20.893 24.639 -99.200 -91.000 HIS 94 0.900 20.069 -21.448 19.637 -99.200 -91.000 PHE 97 1.000 19.693 -18.694 7.428 -99.200 -91.000 PHE 99 1.000 25.483 -17.311 2.792 -99.200 -91.000 TYR 107 0.840 19.239 -16.432 16.044 -99.200 -91.000 PHE 113 1.000 12.150 -14.764 24.911 -99.200 -91.000 HIS 117 0.900 7.606 -14.965 11.762 -99.200 -91.000 TYR 119 0.840 5.196 -14.933 5.961 -99.200 -91.000 PHE 142 1.000 6.730 8.683 16.129 -99.200 -91.000 PHE 171 1.000 11.419 5.480 20.739 -99.200 -91.000 TYR 175 0.840 17.458 3.852 22.305 -99.200 -91.000 PHE 181 1.000 16.093 13.020 32.473 -99.200 -91.000 HIS 203 0.900 7.881 13.720 16.096 -99.200 -91.000 HIS 216 0.900 25.758 5.361 26.585 -99.200 -91.000 TYR 218 0.840 20.349 12.813 29.882 -99.200 -91.000 TYR 220 0.840 16.786 0.460 30.736 -99.200 -91.000 HIS 245 0.900 14.884 1.845 34.689 -99.200 -91.000 TYR 246 0.840 9.573 7.566 38.360 -99.200 -91.000