============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 2 1.000 26.065 27.447 0.124 -99.200 -91.000 HIS 4 0.900 14.678 31.521 2.539 -99.200 -91.000 PHE 5 1.000 21.436 33.657 7.297 -99.200 -91.000 HIS 9 0.900 10.611 46.616 8.385 -99.200 -91.000 HIS 13 0.900 14.236 52.236 10.631 -99.200 -91.000 TRP 16 1.040 14.014 51.409 3.981 -99.200 -91.000 TRP6 16 1.020 15.392 52.592 5.499 -99.200 -91.000 TRP 18 1.040 17.030 43.930 6.942 -99.200 -91.000 TRP6 18 1.020 18.361 43.360 8.815 -99.200 -91.000 HIS 19 0.900 21.659 50.065 1.429 -99.200 -91.000 HIS 30 0.900 24.613 31.868 4.024 -99.200 -91.000 PHE 53 1.000 5.614 44.984 17.231 -99.200 -91.000 TYR 56 0.840 5.315 46.325 12.269 -99.200 -91.000 PHE 63 1.000 9.496 34.107 3.282 -99.200 -91.000 TYR 92 0.840 3.382 30.035 10.196 -99.200 -91.000 PHE 101 1.000 15.820 37.358 19.437 -99.200 -91.000 HIS 102 0.900 21.443 44.186 13.530 -99.200 -91.000 HIS 111 0.900 8.871 38.940 33.463 -99.200 -91.000 TYR 115 0.840 9.680 42.249 32.128 -99.200 -91.000 PHE 124 1.000 17.028 56.966 23.807 -99.200 -91.000 TRP 127 1.040 12.089 57.159 22.325 -99.200 -91.000 TRP6 127 1.020 11.897 55.457 20.691 -99.200 -91.000 TYR 132 0.840 6.174 60.275 20.675 -99.200 -91.000 PHE 133 1.000 0.740 59.055 13.974 -99.200 -91.000 TYR 135 0.840 -3.209 54.216 14.408 -99.200 -91.000 PHE 149 1.000 13.929 64.050 8.886 -99.200 -91.000 TYR 157 0.840 19.786 55.146 10.334 -99.200 -91.000 TYR 165 0.840 20.709 61.725 9.104 -99.200 -91.000 PHE 178 1.000 0.969 48.639 16.109 -99.200 -91.000 PHE 187 1.000 1.981 36.957 30.356 -99.200 -91.000 PHE 188 1.000 5.391 37.434 22.271 -99.200 -91.000 TYR 193 0.840 10.251 34.300 21.908 -99.200 -91.000 TYR 200 0.840 20.672 40.540 22.955 -99.200 -91.000 TRP 202 1.040 25.599 42.771 23.284 -99.200 -91.000 TRP6 202 1.020 26.099 44.460 24.863 -99.200 -91.000 PHE 209 1.000 16.610 48.823 21.124 -99.200 -91.000 PHE 213 1.000 16.096 47.245 26.225 -99.200 -91.000 TRP 216 1.040 16.386 44.360 32.772 -99.200 -91.000 TRP6 216 1.020 14.567 44.046 31.292 -99.200 -91.000 TYR 221 0.840 13.436 34.021 26.914 -99.200 -91.000 TYR 227 0.840 28.012 34.803 17.657 -99.200 -91.000 HIS 234 0.900 19.347 50.357 17.422 -99.200 -91.000 TYR 255 0.840 22.060 27.270 17.042 -99.200 -91.000