============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 6 0.840 15.321 19.953 35.400 -99.200 -91.000 TYR 12 0.840 7.102 15.385 30.562 -99.200 -91.000 PHE 15 1.000 9.990 21.598 35.180 -99.200 -91.000 PHE 34 1.000 20.377 28.304 12.297 -99.200 -91.000 TYR 47 0.840 7.910 19.111 19.020 -99.200 -91.000 PHE 55 1.000 9.310 31.193 21.815 -99.200 -91.000 TRP 57 1.040 6.270 31.825 15.823 -99.200 -91.000 TRP6 57 1.020 7.133 29.998 17.058 -99.200 -91.000 HIS 61 0.900 16.310 30.000 10.442 -99.200 -91.000 PHE 62 1.000 10.990 25.320 15.106 -99.200 -91.000 PHE 63 1.000 17.755 23.011 10.625 -99.200 -91.000 TYR 69 0.840 11.829 6.633 0.992 -99.200 -91.000 PHE 79 1.000 5.634 18.473 6.504 -99.200 -91.000 PHE 87 1.000 7.572 22.067 11.261 -99.200 -91.000 HIS 98 0.900 15.729 24.308 6.628 -99.200 -91.000 TYR 99 0.840 9.334 19.189 4.285 -99.200 -91.000 TYR 113 0.840 16.822 16.968 6.945 -99.200 -91.000 PHE 124 1.000 21.237 20.680 13.667 -99.200 -91.000 HIS 135 0.900 13.614 4.378 18.743 -99.200 -91.000 PHE 140 1.000 14.656 2.390 15.221 -99.200 -91.000 PHE 153 1.000 20.231 5.035 2.428 -99.200 -91.000 PHE 169 1.000 24.966 7.601 17.854 -99.200 -91.000 TYR 177 0.840 22.067 24.287 26.990 -99.200 -91.000 PHE 180 1.000 18.248 12.183 24.840 -99.200 -91.000 TYR 203 0.840 26.770 5.903 27.187 -99.200 -91.000 PHE 204 1.000 27.262 5.233 22.131 -99.200 -91.000 TRP 213 1.040 18.643 12.349 29.763 -99.200 -91.000 TRP6 213 1.020 17.832 10.514 28.506 -99.200 -91.000 PHE 214 1.000 13.260 19.314 30.564 -99.200 -91.000