============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 4 0.840 -2.100 13.254 135.026 -99.200 -91.000 PHE 5 1.000 -5.551 13.881 131.285 -99.200 -91.000 TYR 8 0.840 1.522 19.803 135.892 -99.200 -91.000 HIS 12 0.900 -5.402 20.672 125.650 -99.200 -91.000 PHE 13 1.000 -1.257 16.888 130.978 -99.200 -91.000 HIS 14 0.900 -6.268 14.936 122.532 -99.200 -91.000 HIS 26 0.900 -1.015 26.019 126.768 -99.200 -91.000 PHE 34 1.000 12.003 25.675 130.207 -99.200 -91.000 HIS 39 0.900 14.708 24.000 135.202 -99.200 -91.000 PHE 42 1.000 7.012 22.107 130.855 -99.200 -91.000 PHE 46 1.000 7.964 16.229 130.990 -99.200 -91.000 TYR 47 0.840 6.842 10.535 140.255 -99.200 -91.000 TRP 67 1.040 9.161 20.205 120.809 -99.200 -91.000 TRP6 67 1.020 10.876 20.381 122.457 -99.200 -91.000 PHE 73 1.000 17.555 33.939 127.801 -99.200 -91.000 TRP 85 1.040 22.999 25.964 138.800 -99.200 -91.000 TRP6 85 1.020 22.194 26.519 136.650 -99.200 -91.000 TYR 89 0.840 22.684 19.671 141.200 -99.200 -91.000 TRP 90 1.040 16.018 18.250 143.879 -99.200 -91.000 TRP6 90 1.020 13.713 18.157 143.328 -99.200 -91.000 HIS 117 0.900 15.355 23.422 128.661 -99.200 -91.000 TYR 120 0.840 12.122 19.137 128.411 -99.200 -91.000 PHE 135 1.000 15.538 18.496 115.764 -99.200 -91.000 HIS 140 0.900 22.640 25.132 127.474 -99.200 -91.000 HIS 152 0.900 25.878 17.005 130.015 -99.200 -91.000 TRP 155 1.040 21.304 17.686 120.935 -99.200 -91.000 TRP6 155 1.020 20.428 17.148 118.785 -99.200 -91.000 TYR 162 0.840 34.719 10.935 117.674 -99.200 -91.000 TYR 166 0.840 31.057 21.188 113.336 -99.200 -91.000 PHE 167 1.000 23.452 20.104 117.634 -99.200 -91.000 PHE 169 1.000 33.349 22.356 122.779 -99.200 -91.000 TYR 180 0.840 14.563 10.670 106.738 -99.200 -91.000 HIS 186 0.900 13.621 8.138 114.807 -99.200 -91.000 TRP 199 1.040 -3.029 11.847 118.077 -99.200 -91.000 TRP6 199 1.020 -4.279 10.806 119.804 -99.200 -91.000 TYR 215 0.840 6.943 -5.323 132.326 -99.200 -91.000 TYR 234 0.840 31.836 16.417 136.408 -99.200 -91.000