============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 30 0.900 17.685 -5.961 28.259 -99.200 -91.000 TYR 34 0.840 23.237 -9.175 32.959 -99.200 -91.000 TYR 36 0.840 21.784 -3.112 30.905 -99.200 -91.000 HIS 38 0.900 26.079 1.484 33.782 -99.200 -91.000 TRP 39 1.040 25.266 5.026 41.534 -99.200 -91.000 TRP6 39 1.020 24.231 7.011 42.314 -99.200 -91.000 PHE 40 1.000 29.011 7.049 34.264 -99.200 -91.000 TYR 53 0.840 30.683 -3.027 36.036 -99.200 -91.000 PHE 66 1.000 33.482 6.032 45.982 -99.200 -91.000 PHE 75 1.000 18.264 2.101 40.447 -99.200 -91.000 PHE 79 1.000 30.639 8.967 48.806 -99.200 -91.000 TYR 90 0.840 30.647 11.535 44.206 -99.200 -91.000 TYR 91 0.840 27.087 14.595 36.766 -99.200 -91.000 HIS 95 0.900 24.854 1.623 28.724 -99.200 -91.000 TYR 98 0.840 20.415 3.194 22.183 -99.200 -91.000 PHE 100 1.000 22.544 4.514 25.798 -99.200 -91.000 PHE 102 1.000 25.243 10.751 31.414 -99.200 -91.000 PHE 122 1.000 48.122 40.973 44.139 -99.200 -91.000 PHE 139 1.000 44.544 36.854 42.889 -99.200 -91.000 PHE 143 1.000 36.153 32.079 50.547 -99.200 -91.000 TYR 144 0.840 33.741 25.091 55.219 -99.200 -91.000 TRP 152 1.040 35.879 45.428 43.677 -99.200 -91.000 TRP6 152 1.020 38.223 45.706 43.837 -99.200 -91.000 TRP 167 1.040 32.601 33.110 43.642 -99.200 -91.000 TRP6 167 1.020 31.344 34.097 41.889 -99.200 -91.000 TYR 177 0.840 33.987 26.030 49.066 -99.200 -91.000 TYR 190 0.840 44.786 53.308 39.100 -99.200 -91.000 HIS 193 0.900 37.456 58.403 41.184 -99.200 -91.000 TYR 196 0.840 41.374 53.026 42.677 -99.200 -91.000 HIS 202 0.900 34.080 33.548 55.466 -99.200 -91.000 PHE 213 1.000 45.587 50.266 44.994 -99.200 -91.000