============================================================================= 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. PHE 6 1.000 21.958 7.354 80.883 -99.200 -91.000 PHE 26 1.000 15.306 4.195 76.504 -99.200 -91.000 TYR 44 0.840 21.023 9.339 98.149 -99.200 -91.000 PHE 61 1.000 18.861 5.886 87.543 -99.200 -91.000 TYR 63 0.840 28.041 1.083 89.167 -99.200 -91.000 PHE 65 1.000 29.609 6.350 90.398 -99.200 -91.000 TYR 73 0.840 23.925 5.967 98.365 -99.200 -91.000 HIS 75 0.900 25.729 -3.321 91.354 -99.200 -91.000 HIS 87 0.900 43.074 14.608 96.568 -99.200 -91.000 PHE 99 1.000 42.489 34.807 99.046 -99.200 -91.000 TYR 103 0.840 37.288 38.525 97.641 -99.200 -91.000 PHE 115 1.000 28.183 34.480 105.492 -99.200 -91.000 PHE 118 1.000 35.093 20.240 105.014 -99.200 -91.000 PHE 139 1.000 25.269 37.052 95.682 -99.200 -91.000 PHE 152 1.000 35.497 34.887 97.554 -99.200 -91.000 PHE 160 1.000 44.527 29.346 98.160 -99.200 -91.000 PHE 167 1.000 39.196 28.203 92.804 -99.200 -91.000 PHE 174 1.000 33.555 31.168 94.930 -99.200 -91.000 PHE 177 1.000 35.851 21.289 90.928 -99.200 -91.000 TRP 181 1.040 38.765 15.110 94.157 -99.200 -91.000 TRP6 181 1.020 38.015 14.971 96.383 -99.200 -91.000 TYR 185 0.840 36.577 10.865 93.592 -99.200 -91.000 PHE 195 1.000 30.244 -1.746 84.312 -99.200 -91.000 HIS 199 0.900 28.341 3.120 74.977 -99.200 -91.000 PHE 200 1.000 29.132 11.822 80.818 -99.200 -91.000 PHE 201 1.000 24.350 7.845 76.585 -99.200 -91.000 PHE 212 1.000 36.729 19.067 77.570 -99.200 -91.000 PHE 215 1.000 32.135 14.352 74.675 -99.200 -91.000 HIS 223 0.900 27.345 7.980 73.229 -99.200 -91.000 PHE 239 1.000 23.689 1.188 74.722 -99.200 -91.000 PHE 240 1.000 16.561 -1.380 74.116 -99.200 -91.000