============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 30 0.840 21.292 31.764 58.985 -99.200 -91.000 TYR 36 0.840 18.930 34.319 63.419 -99.200 -91.000 TRP 39 1.040 8.480 31.751 72.462 -99.200 -91.000 TRP6 39 1.020 6.552 30.392 72.241 -99.200 -91.000 HIS 53 0.900 16.029 39.304 71.680 -99.200 -91.000 PHE 75 1.000 12.853 26.126 69.012 -99.200 -91.000 TYR 90 0.840 1.535 34.880 75.939 -99.200 -91.000 TYR 91 0.840 -0.182 35.059 67.353 -99.200 -91.000 HIS 97 0.900 14.804 26.982 58.163 -99.200 -91.000 PHE 98 1.000 12.470 35.615 52.475 -99.200 -91.000 TYR 100 0.840 12.096 36.548 57.982 -99.200 -91.000 PHE 102 1.000 4.242 36.076 62.304 -99.200 -91.000 PHE 122 1.000 -31.667 47.487 78.614 -99.200 -91.000 PHE 139 1.000 -26.856 45.264 76.619 -99.200 -91.000 PHE 143 1.000 -21.216 35.289 80.560 -99.200 -91.000 TYR 144 0.840 -13.940 31.964 84.370 -99.200 -91.000 TRP 152 1.040 -33.486 36.377 72.444 -99.200 -91.000 TRP6 152 1.020 -34.198 38.365 73.517 -99.200 -91.000 TRP 167 1.040 -20.849 35.022 73.413 -99.200 -91.000 TRP6 167 1.020 -21.667 34.520 71.240 -99.200 -91.000 TYR 177 0.840 -14.795 35.035 79.019 -99.200 -91.000 TYR 190 0.840 -42.415 44.745 70.741 -99.200 -91.000 HIS 193 0.900 -45.654 37.487 68.693 -99.200 -91.000 TYR 196 0.840 -41.789 40.312 72.770 -99.200 -91.000 HIS 202 0.900 -22.443 30.867 83.691 -99.200 -91.000 PHE 213 1.000 -40.396 43.318 77.040 -99.200 -91.000