============================================================================= 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. TRP 12 1.040 23.245 75.609 158.658 -99.200 -91.000 TRP6 12 1.020 21.569 77.221 158.394 -99.200 -91.000 HIS 14 0.900 17.518 72.540 159.359 -99.200 -91.000 PHE 19 1.000 26.617 58.704 153.530 -99.200 -91.000 TYR 24 0.840 22.831 56.140 142.992 -99.200 -91.000 PHE 25 1.000 25.737 62.842 151.093 -99.200 -91.000 TRP 35 1.040 7.030 61.312 159.587 -99.200 -91.000 TRP6 35 1.020 6.486 59.820 157.868 -99.200 -91.000 HIS 41 0.900 16.746 64.511 142.585 -99.200 -91.000 PHE 48 1.000 20.923 49.948 151.759 -99.200 -91.000 HIS 56 0.900 30.818 71.137 160.364 -99.200 -91.000 PHE 73 1.000 12.741 54.312 150.555 -99.200 -91.000 HIS 76 0.900 3.249 64.571 144.647 -99.200 -91.000 TYR 79 0.840 10.166 61.907 140.635 -99.200 -91.000 PHE 82 1.000 10.913 63.002 128.961 -99.200 -91.000 TRP 124 1.040 28.184 67.180 154.852 -99.200 -91.000 TRP6 124 1.020 26.151 66.927 156.024 -99.200 -91.000 TYR 155 0.840 17.515 75.788 134.312 -99.200 -91.000 TYR 184 0.840 14.383 84.640 155.448 -99.200 -91.000 TYR 189 0.840 10.659 80.102 153.514 -99.200 -91.000 PHE 194 1.000 14.958 71.880 137.534 -99.200 -91.000 TYR 203 0.840 23.649 78.655 132.431 -99.200 -91.000 PHE 207 1.000 17.081 75.431 146.004 -99.200 -91.000 TYR 212 0.840 2.066 73.816 143.521 -99.200 -91.000 PHE 213 1.000 5.061 69.833 145.613 -99.200 -91.000 TRP 216 1.040 2.050 64.116 148.753 -99.200 -91.000 TRP6 216 1.020 4.215 63.665 149.575 -99.200 -91.000