============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 9 1.000 27.529 4.226 17.316 -99.200 -91.000 TYR 28 0.840 19.392 15.226 10.303 -99.200 -91.000 HIS 49 0.900 32.722 16.150 13.052 -99.200 -91.000 HIS 101 0.900 30.027 11.938 26.252 -99.200 -91.000 PHE 113 1.000 12.650 -13.209 10.529 -99.200 -91.000 TRP 116 1.040 6.364 -10.329 10.643 -99.200 -91.000 TRP6 116 1.020 7.914 -10.596 8.900 -99.200 -91.000 HIS 132 0.900 18.515 -8.367 14.389 -99.200 -91.000 HIS 136 0.900 12.784 -4.159 21.132 -99.200 -91.000 TYR 146 0.840 14.656 0.904 21.074 -99.200 -91.000 HIS 153 0.900 14.812 -9.058 1.095 -99.200 -91.000 TYR 163 0.840 9.047 5.137 4.334 -99.200 -91.000 HIS 179 0.900 18.775 3.504 -1.852 -99.200 -91.000 HIS 183 0.900 12.159 9.398 3.509 -99.200 -91.000 PHE 184 1.000 10.115 4.783 10.210 -99.200 -91.000 TYR 194 0.840 6.592 6.488 13.788 -99.200 -91.000 HIS 197 0.900 4.290 3.673 20.193 -99.200 -91.000 TYR 200 0.840 6.303 -4.773 8.590 -99.200 -91.000 HIS 203 0.900 5.924 1.922 -1.351 -99.200 -91.000 TYR 205 0.840 9.830 -0.412 -2.502 -99.200 -91.000