============================================================================= 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 -22.415 73.614 14.070 -99.200 -91.000 TRP 29 1.040 -14.692 70.346 20.444 -99.200 -91.000 TRP6 29 1.020 -14.742 72.125 22.006 -99.200 -91.000 HIS 35 0.900 -4.715 65.592 6.615 -99.200 -91.000 PHE 42 1.000 -13.459 67.375 8.031 -99.200 -91.000 PHE 60 1.000 -9.657 54.181 13.479 -99.200 -91.000 PHE 63 1.000 -19.035 58.259 7.001 -99.200 -91.000 HIS 73 0.900 -12.460 55.061 17.281 -99.200 -91.000 TYR 80 0.840 -21.103 59.747 11.742 -99.200 -91.000 HIS 92 0.900 -24.598 67.014 24.497 -99.200 -91.000 HIS 94 0.900 -19.951 68.205 19.788 -99.200 -91.000 PHE 97 1.000 -19.509 65.352 7.561 -99.200 -91.000 PHE 99 1.000 -25.376 64.108 2.923 -99.200 -91.000 TYR 107 0.840 -19.182 62.654 15.782 -99.200 -91.000 PHE 113 1.000 -12.241 61.516 25.319 -99.200 -91.000 HIS 117 0.900 -7.398 61.451 11.708 -99.200 -91.000 TYR 119 0.840 -5.001 61.622 5.919 -99.200 -91.000 PHE 142 1.000 -6.517 37.818 15.937 -99.200 -91.000 PHE 171 1.000 -11.403 40.792 20.706 -99.200 -91.000 TYR 175 0.840 -17.326 42.589 22.096 -99.200 -91.000 PHE 181 1.000 -15.965 33.213 32.449 -99.200 -91.000 HIS 203 0.900 -7.677 32.732 16.132 -99.200 -91.000 HIS 216 0.900 -25.884 40.898 30.247 -99.200 -91.000 TYR 218 0.840 -20.164 33.483 29.862 -99.200 -91.000 TYR 220 0.840 -17.022 45.658 30.152 -99.200 -91.000 HIS 245 0.900 -15.095 44.388 34.648 -99.200 -91.000 TYR 246 0.840 -9.546 38.898 38.149 -99.200 -91.000