============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 9 0.840 4.413 16.996 7.335 -99.200 -91.000 TYR 10 0.840 -1.898 20.496 10.608 -99.200 -91.000 TRP 25 1.040 -0.865 17.256 28.007 -99.200 -91.000 TRP6 25 1.020 -2.179 17.742 26.091 -99.200 -91.000 PHE 30 1.000 5.100 24.207 17.576 -99.200 -91.000 TYR 31 0.840 5.787 32.169 16.459 -99.200 -91.000 HIS 36 0.900 11.296 32.773 1.881 -99.200 -91.000 TRP 39 1.040 15.340 34.306 12.455 -99.200 -91.000 TRP6 39 1.020 17.027 34.365 14.105 -99.200 -91.000 PHE 42 1.000 11.757 24.669 17.984 -99.200 -91.000 PHE 43 1.000 7.458 31.170 21.215 -99.200 -91.000 PHE 44 1.000 6.375 22.667 24.438 -99.200 -91.000 HIS 45 0.900 4.611 29.951 26.197 -99.200 -91.000 TYR 46 0.840 3.199 22.170 30.479 -99.200 -91.000 TRP 54 1.040 -1.906 29.259 29.929 -99.200 -91.000 TRP6 54 1.020 -1.971 27.950 27.938 -99.200 -91.000 PHE 71 1.000 12.981 19.685 27.100 -99.200 -91.000 TYR 75 0.840 14.870 22.869 21.124 -99.200 -91.000 PHE 80 1.000 14.101 16.313 9.706 -99.200 -91.000 PHE 85 1.000 3.726 21.472 8.091 -99.200 -91.000 TYR 89 0.840 2.251 24.875 3.481 -99.200 -91.000 PHE 93 1.000 -0.231 22.586 -0.170 -99.200 -91.000 TRP 97 1.040 4.590 26.230 6.864 -99.200 -91.000 TRP6 97 1.020 6.324 26.405 8.484 -99.200 -91.000 PHE 100 1.000 3.425 25.283 12.256 -99.200 -91.000 PHE 104 1.000 -1.032 19.847 21.160 -99.200 -91.000 TYR 105 0.840 -8.287 23.331 23.049 -99.200 -91.000 PHE 110 1.000 -6.067 19.729 14.370 -99.200 -91.000 PHE 114 1.000 -0.080 26.061 8.363 -99.200 -91.000 TYR 115 0.840 -0.592 33.360 11.454 -99.200 -91.000 TYR 116 0.840 1.125 31.896 3.697 -99.200 -91.000 PHE 121 1.000 8.734 42.864 16.672 -99.200 -91.000 PHE 124 1.000 14.182 38.539 26.431 -99.200 -91.000 TRP 130 1.040 2.737 33.130 21.044 -99.200 -91.000 TRP6 130 1.020 2.073 32.022 23.031 -99.200 -91.000 TYR 132 0.840 0.738 43.296 25.303 -99.200 -91.000 HIS 134 0.900 -1.329 33.326 21.918 -99.200 -91.000 PHE 135 1.000 -0.611 32.548 27.804 -99.200 -91.000 PHE 142 1.000 17.272 43.036 28.928 -99.200 -91.000 TYR 143 0.840 13.419 38.842 31.132 -99.200 -91.000 TYR 150 0.840 4.245 43.178 20.002 -99.200 -91.000 TYR 160 0.840 4.211 43.457 14.494 -99.200 -91.000 PHE 162 1.000 4.384 37.635 13.097 -99.200 -91.000 HIS 167 0.900 -17.346 40.108 22.670 -99.200 -91.000 HIS 168 0.900 -19.325 45.715 18.158 -99.200 -91.000 HIS 169 0.900 -21.982 40.597 24.514 -99.200 -91.000 HIS 170 0.900 -17.549 47.866 29.576 -99.200 -91.000