============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 5 0.840 10.402 -42.992 14.387 -99.200 -91.000 TYR 14 0.840 20.068 -37.264 6.720 -99.200 -91.000 TYR 22 0.840 34.450 -49.058 20.057 -99.200 -91.000 HIS 23 0.900 27.812 -45.964 16.122 -99.200 -91.000 PHE 24 1.000 34.439 -42.991 17.003 -99.200 -91.000 TRP 34 1.040 34.948 -32.263 2.116 -99.200 -91.000 TRP6 34 1.020 36.620 -31.696 3.674 -99.200 -91.000 HIS 40 0.900 31.261 -35.307 21.859 -99.200 -91.000 TYR 42 0.840 41.164 -35.796 16.297 -99.200 -91.000 HIS 53 0.900 17.655 -50.064 9.350 -99.200 -91.000 PHE 64 1.000 32.038 -51.311 6.202 -99.200 -91.000 HIS 73 0.900 35.547 -23.828 15.000 -99.200 -91.000 TYR 76 0.840 36.331 -30.043 21.296 -99.200 -91.000 HIS 99 0.900 20.331 -48.786 -0.860 -99.200 -91.000 TRP 121 1.040 22.982 -47.633 13.991 -99.200 -91.000 TRP6 121 1.020 23.817 -46.188 12.311 -99.200 -91.000 TYR 131 0.840 24.723 -48.404 24.231 -99.200 -91.000 TYR 152 0.840 21.500 -28.821 29.726 -99.200 -91.000 PHE 161 1.000 19.959 -26.541 17.558 -99.200 -91.000 PHE 165 1.000 9.635 -34.277 22.976 -99.200 -91.000 TRP 193 1.040 26.773 -29.976 25.698 -99.200 -91.000 TRP6 193 1.020 25.949 -29.189 27.780 -99.200 -91.000 TYR 206 0.840 20.470 -32.159 19.968 -99.200 -91.000 TYR 210 0.840 22.528 -19.410 9.651 -99.200 -91.000 TYR 212 0.840 30.247 -23.841 14.511 -99.200 -91.000 TRP 215 1.040 35.842 -24.013 10.404 -99.200 -91.000 TRP6 215 1.020 35.206 -26.231 10.852 -99.200 -91.000