============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 3 1.000 8.248 3.125 28.507 -99.200 -91.000 PHE 5 1.000 12.766 5.683 30.335 -99.200 -91.000 PHE 7 1.000 16.008 11.344 32.191 -99.200 -91.000 TYR 23 0.840 22.335 -4.431 33.333 -99.200 -91.000 PHE 30 1.000 28.741 7.169 37.486 -99.200 -91.000 TYR 39 0.840 35.793 14.859 39.985 -99.200 -91.000 TRP 42 1.040 31.980 3.394 40.426 -99.200 -91.000 TRP6 42 1.020 29.631 3.211 40.321 -99.200 -91.000 TRP 57 1.040 32.430 21.817 43.064 -99.200 -91.000 TRP6 57 1.020 31.829 22.881 45.085 -99.200 -91.000 TRP 71 1.040 19.496 7.035 27.146 -99.200 -91.000 TRP6 71 1.020 17.255 6.831 26.441 -99.200 -91.000 TRP 74 1.040 14.778 1.551 28.575 -99.200 -91.000 TRP6 74 1.020 13.352 0.269 29.950 -99.200 -91.000 HIS 86 0.900 12.619 19.077 40.694 -99.200 -91.000 TYR 91 0.840 21.412 21.611 32.294 -99.200 -91.000 PHE 102 1.000 27.989 11.185 29.788 -99.200 -91.000 PHE 114 1.000 29.449 29.471 35.368 -99.200 -91.000 PHE 153 1.000 4.925 26.544 42.339 -99.200 -91.000 HIS 164 0.900 18.104 38.403 49.723 -99.200 -91.000 HIS 193 0.900 15.579 25.672 40.052 -99.200 -91.000 PHE 212 1.000 21.847 23.036 23.874 -99.200 -91.000 TYR 243 0.840 16.242 34.202 35.385 -99.200 -91.000 TRP 248 1.040 7.981 16.768 39.098 -99.200 -91.000 TRP6 248 1.020 9.254 16.317 37.172 -99.200 -91.000 PHE 254 1.000 2.410 19.078 28.034 -99.200 -91.000 HIS 262 0.900 4.972 2.982 35.637 -99.200 -91.000 TYR 264 0.840 8.959 2.205 33.585 -99.200 -91.000