============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 14 1.040 31.787 61.676 3.342 -99.200 -91.000 TRP6 14 1.020 33.741 61.447 4.641 -99.200 -91.000 PHE 26 1.000 17.741 66.160 -8.452 -99.200 -91.000 PHE 35 1.000 34.924 54.717 -13.949 -99.200 -91.000 TYR 36 0.840 30.077 51.641 -9.874 -99.200 -91.000 HIS 42 0.900 13.710 60.192 -1.817 -99.200 -91.000 TYR 45 0.840 10.749 57.075 -8.926 -99.200 -91.000 PHE 50 1.000 20.222 61.973 -11.836 -99.200 -91.000 HIS 69 0.900 33.122 63.133 -12.722 -99.200 -91.000 HIS 77 0.900 16.169 46.829 -3.947 -99.200 -91.000 PHE 80 1.000 11.475 54.383 -3.983 -99.200 -91.000 TYR 85 0.840 9.398 58.094 -0.029 -99.200 -91.000 PHE 87 1.000 13.052 46.350 -0.346 -99.200 -91.000 PHE 100 1.000 38.595 58.972 -5.227 -99.200 -91.000 TRP 114 1.040 33.750 45.528 12.108 -99.200 -91.000 TRP6 114 1.020 33.611 47.690 11.173 -99.200 -91.000 PHE 130 1.000 25.989 71.902 -1.250 -99.200 -91.000 HIS 134 0.900 15.650 78.087 9.234 -99.200 -91.000 TYR 150 0.840 23.594 55.044 14.283 -99.200 -91.000 PHE 162 1.000 3.680 58.598 6.536 -99.200 -91.000 PHE 169 1.000 20.386 54.557 9.975 -99.200 -91.000 TYR 173 0.840 19.919 65.928 18.238 -99.200 -91.000 HIS 189 0.900 23.910 58.037 9.571 -99.200 -91.000 PHE 193 1.000 35.409 50.570 15.110 -99.200 -91.000 TYR 197 0.840 34.398 60.638 9.846 -99.200 -91.000 PHE 198 1.000 34.450 52.013 8.365 -99.200 -91.000 TRP 205 1.040 11.043 57.832 5.045 -99.200 -91.000 TRP6 205 1.020 9.489 57.943 6.828 -99.200 -91.000 TYR 215 0.840 12.952 60.395 17.164 -99.200 -91.000 TYR 218 0.840 19.327 59.657 8.373 -99.200 -91.000 PHE 224 1.000 18.773 47.835 0.862 -99.200 -91.000 TRP 227 1.040 20.506 46.055 -4.837 -99.200 -91.000 TRP6 227 1.020 21.027 48.299 -5.335 -99.200 -91.000