============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 36 1.000 25.442 -2.753 28.738 -99.200 -91.000 TRP 39 1.040 28.307 7.636 19.488 -99.200 -91.000 TRP6 39 1.020 27.155 8.453 17.584 -99.200 -91.000 TYR 53 0.840 33.702 2.303 27.866 -99.200 -91.000 PHE 66 1.000 37.246 10.527 17.249 -99.200 -91.000 PHE 75 1.000 21.925 7.525 23.545 -99.200 -91.000 TYR 90 0.840 32.996 9.147 12.497 -99.200 -91.000 TYR 91 0.840 28.482 1.886 10.117 -99.200 -91.000 TRP 93 1.040 26.078 -2.927 18.117 -99.200 -91.000 TRP6 93 1.020 28.040 -4.217 18.303 -99.200 -91.000 HIS 97 0.900 15.967 -1.932 25.118 -99.200 -91.000 PHE 98 1.000 17.976 -11.439 21.453 -99.200 -91.000 TYR 100 0.840 22.186 -7.313 22.277 -99.200 -91.000 PHE 102 1.000 26.265 -2.917 14.511 -99.200 -91.000 PHE 122 1.000 48.808 3.704 -17.742 -99.200 -91.000 PHE 139 1.000 45.123 3.541 -13.661 -99.200 -91.000 PHE 143 1.000 39.594 13.138 -8.879 -99.200 -91.000 TYR 144 0.840 38.156 18.276 -1.822 -99.200 -91.000 TRP 152 1.040 37.223 6.631 -21.985 -99.200 -91.000 TRP6 152 1.020 39.481 6.027 -22.349 -99.200 -91.000 TRP 167 1.040 34.297 7.867 -9.506 -99.200 -91.000 TRP6 167 1.020 32.625 6.401 -10.310 -99.200 -91.000 TYR 177 0.840 36.939 12.469 -2.732 -99.200 -91.000 TYR 190 0.840 43.404 -0.919 -29.581 -99.200 -91.000 HIS 193 0.900 37.600 3.389 -35.176 -99.200 -91.000 TYR 196 0.840 41.732 3.724 -29.614 -99.200 -91.000 HIS 202 0.900 38.895 18.702 -10.264 -99.200 -91.000 PHE 213 1.000 46.599 4.758 -26.996 -99.200 -91.000