============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 1 0.900 105.483 -51.848 -8.413 -99.200 -91.000 HIS 2 0.900 106.044 -54.117 -16.697 -99.200 -91.000 TYR 30 0.840 145.387 -47.272 -6.403 -99.200 -91.000 TRP 36 1.040 154.335 -51.597 2.927 -99.200 -91.000 TRP6 36 1.020 156.170 -50.199 2.386 -99.200 -91.000 TYR 38 0.840 148.835 -42.130 5.817 -99.200 -91.000 HIS 40 0.900 156.387 -50.232 6.083 -99.200 -91.000 PHE 48 1.000 148.942 -39.682 -5.675 -99.200 -91.000 PHE 50 1.000 141.901 -41.771 3.185 -99.200 -91.000 HIS 52 0.900 144.022 -43.168 -7.735 -99.200 -91.000 TYR 57 0.840 132.377 -45.896 -2.334 -99.200 -91.000 HIS 59 0.900 136.869 -42.267 -10.901 -99.200 -91.000 PHE 66 1.000 124.750 -44.960 -18.157 -99.200 -91.000 HIS 84 0.900 148.796 -58.646 3.887 -99.200 -91.000 PHE 86 1.000 151.485 -53.359 -1.348 -99.200 -91.000 PHE 93 1.000 153.263 -43.972 -5.744 -99.200 -91.000 TYR 97 0.840 152.451 -46.147 -15.814 -99.200 -91.000 HIS 99 0.900 144.569 -51.544 -10.188 -99.200 -91.000 HIS 102 0.900 143.100 -54.864 -15.537 -99.200 -91.000 HIS 113 0.900 132.955 -55.475 -26.032 -99.200 -91.000 HIS 120 0.900 127.236 -44.316 -30.852 -99.200 -91.000 PHE 123 1.000 131.781 -42.808 -27.840 -99.200 -91.000 PHE 125 1.000 127.919 -42.813 -17.216 -99.200 -91.000 TRP 128 1.040 131.656 -39.647 -16.409 -99.200 -91.000 TRP6 128 1.020 132.746 -40.685 -14.582 -99.200 -91.000 TYR 129 0.840 135.377 -45.009 -15.517 -99.200 -91.000 HIS 134 0.900 145.352 -39.324 -21.057 -99.200 -91.000 PHE 140 1.000 148.539 -43.663 -9.305 -99.200 -91.000 HIS 155 0.900 169.870 -36.735 3.158 -99.200 -91.000 TYR 158 0.840 162.426 -35.071 3.789 -99.200 -91.000 TYR 163 0.840 157.268 -34.416 -7.511 -99.200 -91.000