============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 35 1.000 -7.768 -23.317 18.017 -99.200 -91.000 PHE 56 1.000 -5.841 -28.710 18.089 -99.200 -91.000 HIS 59 0.900 1.343 -26.703 12.225 -99.200 -91.000 TRP 67 1.040 4.445 -25.504 9.366 -99.200 -91.000 TRP6 67 1.020 3.148 -23.542 9.514 -99.200 -91.000 PHE 104 1.000 21.220 -20.543 19.907 -99.200 -91.000 PHE 116 1.000 12.971 -21.488 5.175 -99.200 -91.000 TRP 142 1.040 13.987 -4.289 20.164 -99.200 -91.000 TRP6 142 1.020 14.417 -2.599 21.756 -99.200 -91.000 TYR 148 0.840 14.307 -15.696 29.595 -99.200 -91.000 TYR 151 0.840 12.000 -15.922 23.441 -99.200 -91.000 TYR 174 0.840 4.454 -13.927 -5.102 -99.200 -91.000 HIS 182 0.900 10.179 -7.496 16.992 -99.200 -91.000 TYR 187 0.840 -1.024 -11.837 35.042 -99.200 -91.000 HIS 206 0.900 3.269 0.446 32.493 -99.200 -91.000 TYR 217 0.840 3.486 -4.104 29.022 -99.200 -91.000 PHE 228 1.000 -2.953 -1.235 11.985 -99.200 -91.000 HIS 243 0.900 10.556 -2.276 18.049 -99.200 -91.000