============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 19 0.840 -22.212 -77.833 57.360 -99.200 -91.000 PHE 24 1.000 -30.042 -75.472 65.938 -99.200 -91.000 TYR 33 0.840 -39.960 -69.005 46.194 -99.200 -91.000 TYR 36 0.840 -33.614 -61.731 45.622 -99.200 -91.000 PHE 42 1.000 -30.968 -79.250 52.002 -99.200 -91.000 PHE 55 1.000 -25.533 -72.865 61.523 -99.200 -91.000 HIS 59 0.900 -17.696 -69.128 53.784 -99.200 -91.000 HIS 63 0.900 -15.222 -72.216 53.669 -99.200 -91.000 HIS 68 0.900 -15.440 -65.370 44.567 -99.200 -91.000 TYR 72 0.840 -22.851 -62.252 50.771 -99.200 -91.000 TRP 77 1.040 -37.322 -63.906 50.126 -99.200 -91.000 TRP6 77 1.020 -38.101 -61.872 49.179 -99.200 -91.000 TRP 86 1.040 -33.929 -60.768 68.528 -99.200 -91.000 TRP6 86 1.020 -32.998 -58.931 69.683 -99.200 -91.000 TYR 100 0.840 -9.106 -55.009 68.447 -99.200 -91.000 PHE 105 1.000 -15.041 -65.268 70.648 -99.200 -91.000 PHE 111 1.000 -20.692 -51.681 56.535 -99.200 -91.000 TYR 120 0.840 -22.505 -53.984 46.654 -99.200 -91.000 PHE 122 1.000 -33.171 -58.641 50.432 -99.200 -91.000 PHE 123 1.000 -36.429 -52.378 49.500 -99.200 -91.000 HIS 130 0.900 -31.378 -44.278 47.865 -99.200 -91.000 PHE 137 1.000 -21.776 -54.307 62.503 -99.200 -91.000 HIS 157 0.900 -9.779 -56.658 71.787 -99.200 -91.000 TYR 162 0.840 -15.798 -57.588 58.578 -99.200 -91.000 PHE 170 1.000 -6.463 -64.912 53.169 -99.200 -91.000 TRP 179 1.040 -7.011 -53.282 53.581 -99.200 -91.000 TRP6 179 1.020 -7.884 -52.050 51.743 -99.200 -91.000 TYR 183 0.840 -9.898 -47.096 53.202 -99.200 -91.000 TYR 206 0.840 -25.614 -58.975 60.154 -99.200 -91.000 TYR 215 0.840 -1.761 -61.466 65.521 -99.200 -91.000 PHE 218 1.000 -0.350 -55.172 59.243 -99.200 -91.000 TYR 244 0.840 -27.178 -73.255 75.410 -99.200 -91.000