============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 13 0.900 -5.366 29.777 167.639 -99.200 -91.000 HIS 14 0.900 -3.934 36.175 163.447 -99.200 -91.000 TRP 16 1.040 -5.842 25.339 161.986 -99.200 -91.000 TRP6 16 1.020 -7.835 25.509 163.239 -99.200 -91.000 PHE 19 1.000 -2.692 30.739 156.026 -99.200 -91.000 HIS 20 0.900 -9.593 26.214 159.097 -99.200 -91.000 TYR 22 0.840 -6.577 34.345 153.907 -99.200 -91.000 HIS 23 0.900 -11.040 25.356 153.025 -99.200 -91.000 TRP 24 1.040 -14.555 27.765 156.155 -99.200 -91.000 TRP6 24 1.020 -14.196 28.658 158.309 -99.200 -91.000 PHE 31 1.000 -15.166 27.472 146.481 -99.200 -91.000 PHE 32 1.000 -12.107 21.681 144.268 -99.200 -91.000 HIS 35 0.900 -12.815 24.661 149.802 -99.200 -91.000 TYR 37 0.840 -1.766 27.846 147.939 -99.200 -91.000 TYR 42 0.840 -7.767 24.120 156.626 -99.200 -91.000 PHE 48 1.000 -1.380 25.320 168.364 -99.200 -91.000 PHE 82 1.000 -10.938 37.076 152.357 -99.200 -91.000 TYR 95 0.840 2.433 31.045 152.750 -99.200 -91.000 TYR 97 0.840 4.231 37.778 161.423 -99.200 -91.000 PHE 102 1.000 9.102 29.345 160.070 -99.200 -91.000 PHE 120 1.000 10.365 24.288 163.363 -99.200 -91.000 TYR 128 0.840 6.356 29.122 154.883 -99.200 -91.000 TRP 133 1.040 10.090 32.146 141.557 -99.200 -91.000 TRP6 133 1.020 9.922 29.920 140.780 -99.200 -91.000