============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 9 1.040 20.439 10.689 11.703 -99.200 -91.000 TRP6 9 1.020 19.097 10.524 9.764 -99.200 -91.000 TRP 14 1.040 19.133 4.241 4.750 -99.200 -91.000 TRP6 14 1.020 17.154 4.608 3.505 -99.200 -91.000 PHE 16 1.000 13.182 -0.282 13.793 -99.200 -91.000 HIS 18 0.900 16.068 -1.528 3.527 -99.200 -91.000 PHE 22 1.000 13.192 -8.286 3.609 -99.200 -91.000 TYR 24 0.840 2.799 -5.577 5.081 -99.200 -91.000 TYR 36 0.840 3.658 -3.495 9.124 -99.200 -91.000 TYR 39 0.840 7.313 2.706 11.229 -99.200 -91.000 PHE 40 1.000 7.696 1.602 6.321 -99.200 -91.000 TYR 56 0.840 10.125 8.618 4.174 -99.200 -91.000 PHE 59 1.000 13.336 10.614 -3.023 -99.200 -91.000 HIS 76 0.900 7.968 -9.164 -4.791 -99.200 -91.000 TRP 81 1.040 7.458 2.166 -1.172 -99.200 -91.000 TRP6 81 1.020 7.594 2.481 1.170 -99.200 -91.000 PHE 82 1.000 12.520 1.756 3.938 -99.200 -91.000 TYR 83 0.840 16.559 -2.671 -4.010 -99.200 -91.000 HIS 86 0.900 19.132 2.182 1.670 -99.200 -91.000 TYR 97 0.840 26.475 1.513 -0.327 -99.200 -91.000 TYR 101 0.840 13.298 -7.375 -3.630 -99.200 -91.000 TYR 108 0.840 17.526 -6.485 5.982 -99.200 -91.000 PHE 111 1.000 20.586 -11.419 10.176 -99.200 -91.000