============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 10 1.000 7.178 5.579 35.328 -99.200 -91.000 PHE 33 1.000 4.011 5.681 40.733 -99.200 -91.000 PHE 59 1.000 9.106 -3.630 42.645 -99.200 -91.000 HIS 60 0.900 2.097 -5.922 41.454 -99.200 -91.000 TYR 62 0.840 5.830 -6.445 33.081 -99.200 -91.000 PHE 79 1.000 -6.681 -3.157 34.208 -99.200 -91.000 HIS 98 0.900 30.032 -4.560 23.239 -99.200 -91.000 PHE 108 1.000 9.691 -2.626 17.573 -99.200 -91.000 PHE 121 1.000 -6.546 -7.150 31.686 -99.200 -91.000 TRP 122 1.040 -7.280 0.394 30.062 -99.200 -91.000 TRP6 122 1.020 -5.279 1.601 29.803 -99.200 -91.000 PHE 142 1.000 11.891 12.903 18.189 -99.200 -91.000 HIS 146 0.900 26.979 8.830 14.152 -99.200 -91.000 TYR 151 0.840 19.073 3.673 23.329 -99.200 -91.000 PHE 161 1.000 2.998 -0.292 19.442 -99.200 -91.000 TYR 177 0.840 0.773 11.186 26.784 -99.200 -91.000 HIS 190 0.900 30.054 7.393 34.349 -99.200 -91.000 PHE 192 1.000 26.393 5.104 25.764 -99.200 -91.000 TRP 195 1.040 26.400 -2.890 15.382 -99.200 -91.000 TRP6 195 1.020 27.069 -2.254 13.208 -99.200 -91.000 HIS 209 0.900 29.105 17.845 22.335 -99.200 -91.000 PHE 221 1.000 7.535 10.676 31.760 -99.200 -91.000 TRP 234 1.040 3.969 15.623 25.084 -99.200 -91.000 TRP6 234 1.020 3.434 17.932 24.950 -99.200 -91.000 TRP 246 1.040 6.216 11.542 12.077 -99.200 -91.000 TRP6 246 1.020 8.141 11.074 13.374 -99.200 -91.000 HIS 249 0.900 10.109 12.691 4.889 -99.200 -91.000 TRP 250 1.040 3.589 6.533 1.324 -99.200 -91.000 TRP6 250 1.020 2.636 5.028 2.847 -99.200 -91.000 HIS 253 0.900 -3.054 8.538 -0.328 -99.200 -91.000