============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 -120.386 164.108 -13.583 -99.200 -91.000 TYR 12 0.840 -125.873 169.348 -6.122 -99.200 -91.000 PHE 13 1.000 -120.852 169.852 -11.479 -99.200 -91.000 TRP 16 1.040 -120.398 177.397 -4.792 -99.200 -91.000 TRP6 16 1.020 -120.471 177.186 -2.440 -99.200 -91.000 PHE 24 1.000 -112.366 171.405 -1.263 -99.200 -91.000 HIS 26 0.900 -119.244 162.803 -0.231 -99.200 -91.000 TRP 28 1.040 -119.788 155.011 4.729 -99.200 -91.000 TRP6 28 1.020 -120.076 154.116 6.896 -99.200 -91.000 TRP 35 1.040 -115.561 168.437 0.759 -99.200 -91.000 TRP6 35 1.020 -113.530 168.131 1.926 -99.200 -91.000 TYR 37 0.840 -119.074 176.098 7.862 -99.200 -91.000 TYR 41 0.840 -109.812 180.486 4.670 -99.200 -91.000 TYR 47 0.840 -106.329 179.542 -4.380 -99.200 -91.000 PHE 52 1.000 -117.034 163.828 -6.145 -99.200 -91.000 PHE 57 1.000 -122.685 157.639 0.073 -99.200 -91.000 TRP 64 1.040 -127.856 146.091 -7.203 -99.200 -91.000 TRP6 64 1.020 -128.634 145.829 -4.990 -99.200 -91.000 TYR 69 0.840 -112.306 153.629 -2.565 -99.200 -91.000 PHE 72 1.000 -117.282 154.874 -5.054 -99.200 -91.000 HIS 82 0.900 -119.967 168.497 -17.460 -99.200 -91.000 PHE 93 1.000 -113.088 163.479 6.681 -99.200 -91.000 TYR 103 0.840 -108.289 161.972 -11.949 -99.200 -91.000 HIS 107 0.900 -109.197 158.214 -15.459 -99.200 -91.000 PHE 125 1.000 -110.495 152.136 7.825 -99.200 -91.000 TYR 131 0.840 -100.988 148.010 6.802 -99.200 -91.000 PHE 140 1.000 -113.371 148.225 8.317 -99.200 -91.000 PHE 143 1.000 -117.968 150.302 11.271 -99.200 -91.000 PHE 154 1.000 -122.935 152.395 11.769 -99.200 -91.000 PHE 158 1.000 -119.107 156.557 12.073 -99.200 -91.000 PHE 162 1.000 -117.287 162.072 11.173 -99.200 -91.000 TYR 163 0.840 -118.910 165.608 13.868 -99.200 -91.000 PHE 198 1.000 -115.507 152.432 4.639 -99.200 -91.000 PHE 203 1.000 -107.622 153.121 -1.829 -99.200 -91.000 HIS 218 0.900 -105.279 160.307 9.663 -99.200 -91.000 PHE 227 1.000 -100.454 159.934 12.510 -99.200 -91.000 TYR 246 0.840 -104.901 169.923 11.659 -99.200 -91.000 HIS 251 0.900 -112.413 160.117 10.029 -99.200 -91.000 PHE 253 1.000 -108.642 166.678 9.978 -99.200 -91.000 HIS 257 0.900 -108.795 170.270 15.667 -99.200 -91.000 PHE 268 1.000 -100.538 171.138 -1.128 -99.200 -91.000