============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 36 0.840 9.550 26.109 -1.280 -99.200 -91.000 TRP 39 1.040 4.908 38.630 -4.945 -99.200 -91.000 TRP6 39 1.020 6.283 40.010 -6.284 -99.200 -91.000 TYR 53 0.840 2.230 31.148 2.570 -99.200 -91.000 PHE 66 1.000 -1.471 44.317 -0.962 -99.200 -91.000 PHE 75 1.000 7.279 33.032 -10.301 -99.200 -91.000 TYR 90 0.840 4.456 46.646 -2.155 -99.200 -91.000 PHE 91 1.000 12.055 42.821 -0.214 -99.200 -91.000 TRP 93 1.040 14.103 35.524 -0.052 -99.200 -91.000 TRP6 93 1.020 13.979 35.939 2.280 -99.200 -91.000 HIS 97 0.900 15.886 26.488 -8.477 -99.200 -91.000 PHE 98 1.000 23.420 26.910 -1.386 -99.200 -91.000 PHE 102 1.000 16.760 38.392 -0.363 -99.200 -91.000 PHE 122 1.000 16.236 76.083 11.609 -99.200 -91.000 PHE 139 1.000 15.950 71.093 9.115 -99.200 -91.000 PHE 143 1.000 9.785 68.309 -0.969 -99.200 -91.000 TYR 144 0.840 3.025 63.888 -4.226 -99.200 -91.000 TRP 152 1.040 22.116 76.276 0.411 -99.200 -91.000 TRP6 152 1.020 21.638 77.258 2.509 -99.200 -91.000 TRP 167 1.040 16.655 65.128 -1.545 -99.200 -91.000 TRP6 167 1.020 18.918 64.656 -2.034 -99.200 -91.000 TYR 177 0.840 8.138 61.962 -1.906 -99.200 -91.000 TYR 190 0.840 27.981 82.911 9.315 -99.200 -91.000 HIS 193 0.900 30.851 85.661 1.712 -99.200 -91.000 TYR 196 0.840 25.792 83.630 4.822 -99.200 -91.000 HIS 202 0.900 7.041 71.230 -4.897 -99.200 -91.000 PHE 213 1.000 21.300 83.546 8.089 -99.200 -91.000