============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 3 1.000 13.160 -21.808 17.420 -99.200 -91.000 TYR 11 0.840 9.252 -17.239 36.423 -99.200 -91.000 PHE 12 1.000 3.910 -16.683 36.876 -99.200 -91.000 HIS 43 0.900 1.318 -4.168 27.594 -99.200 -91.000 PHE 47 1.000 14.851 3.412 26.119 -99.200 -91.000 PHE 60 1.000 12.026 -20.598 32.006 -99.200 -91.000 TYR 61 0.840 19.185 -16.236 31.548 -99.200 -91.000 HIS 73 0.900 14.664 -3.532 22.550 -99.200 -91.000 TYR 76 0.840 19.954 -8.285 19.215 -99.200 -91.000 TYR 104 0.840 -5.585 0.020 23.293 -99.200 -91.000 PHE 124 1.000 3.209 -18.698 17.697 -99.200 -91.000 PHE 127 1.000 -12.082 -16.819 19.983 -99.200 -91.000 PHE 134 1.000 -2.643 -21.694 27.859 -99.200 -91.000 TYR 158 0.840 4.482 -6.986 14.330 -99.200 -91.000 TYR 168 0.840 -1.911 -30.816 15.528 -99.200 -91.000 TYR 184 0.840 -16.507 -5.096 21.473 -99.200 -91.000 PHE 189 1.000 -25.889 -2.199 30.059 -99.200 -91.000 TYR 191 0.840 -24.722 -0.018 36.823 -99.200 -91.000 TYR 195 0.840 -20.501 7.904 49.042 -99.200 -91.000 PHE 199 1.000 -21.615 3.057 39.588 -99.200 -91.000 TYR 200 0.840 -21.926 7.411 33.144 -99.200 -91.000 TRP 201 1.040 -19.197 -2.701 33.607 -99.200 -91.000 TRP6 201 1.020 -19.181 -3.590 35.788 -99.200 -91.000 PHE 207 1.000 -16.036 -11.834 20.676 -99.200 -91.000 TRP 209 1.040 -24.563 -12.405 18.617 -99.200 -91.000 TRP6 209 1.020 -26.735 -11.660 19.213 -99.200 -91.000 HIS 210 0.900 -24.344 -8.460 13.773 -99.200 -91.000 TYR 217 0.840 -12.477 -9.641 16.347 -99.200 -91.000 TRP 218 1.040 -16.183 -16.029 9.241 -99.200 -91.000 TRP6 218 1.020 -15.130 -17.952 8.355 -99.200 -91.000 TYR 224 0.840 -11.450 -22.689 8.978 -99.200 -91.000 HIS 231 0.900 1.637 -2.233 6.506 -99.200 -91.000 TYR 237 0.840 5.639 5.237 3.884 -99.200 -91.000 TYR 245 0.840 -5.097 19.752 4.240 -99.200 -91.000