============================================================================= 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 20.990 31.668 59.124 -99.200 -91.000 TYR 36 0.840 18.870 34.150 63.438 -99.200 -91.000 TRP 39 1.040 8.491 31.561 72.489 -99.200 -91.000 TRP6 39 1.020 6.553 30.219 72.289 -99.200 -91.000 HIS 53 0.900 16.146 39.076 71.719 -99.200 -91.000 PHE 75 1.000 12.781 25.932 69.081 -99.200 -91.000 TYR 90 0.840 1.467 34.669 75.989 -99.200 -91.000 TYR 91 0.840 -0.187 34.913 67.364 -99.200 -91.000 HIS 97 0.900 14.943 26.663 58.076 -99.200 -91.000 PHE 98 1.000 12.394 35.368 52.627 -99.200 -91.000 TYR 100 0.840 12.092 36.253 58.019 -99.200 -91.000 PHE 102 1.000 4.167 35.841 62.306 -99.200 -91.000 PHE 122 1.000 -31.581 47.385 78.507 -99.200 -91.000 PHE 139 1.000 -26.785 45.184 76.558 -99.200 -91.000 PHE 143 1.000 -21.126 35.222 80.449 -99.200 -91.000 TYR 144 0.840 -13.967 31.880 84.342 -99.200 -91.000 TRP 152 1.040 -33.369 36.326 72.324 -99.200 -91.000 TRP6 152 1.020 -34.179 38.215 73.500 -99.200 -91.000 TRP 167 1.040 -20.703 35.015 73.401 -99.200 -91.000 TRP6 167 1.020 -21.548 34.451 71.258 -99.200 -91.000 TYR 177 0.840 -14.704 34.944 78.958 -99.200 -91.000 TYR 190 0.840 -42.448 44.705 70.601 -99.200 -91.000 HIS 193 0.900 -45.680 37.159 68.712 -99.200 -91.000 TYR 196 0.840 -41.766 40.189 72.674 -99.200 -91.000 HIS 202 0.900 -22.383 30.807 83.664 -99.200 -91.000 PHE 213 1.000 -40.228 43.162 76.856 -99.200 -91.000