============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 27 1.000 -21.818 -7.205 44.421 -99.200 -91.000 HIS 35 0.900 -12.423 -13.345 42.588 -99.200 -91.000 TRP 36 1.040 -9.946 -5.623 39.807 -99.200 -91.000 TRP6 36 1.020 -10.852 -3.891 38.473 -99.200 -91.000 TRP 47 1.040 -8.679 -14.418 39.441 -99.200 -91.000 TRP6 47 1.020 -6.795 -14.636 40.864 -99.200 -91.000 TRP 50 1.040 -10.792 -12.480 46.423 -99.200 -91.000 TRP6 50 1.020 -9.551 -13.201 48.299 -99.200 -91.000 TYR 52 0.840 -13.614 -11.294 52.931 -99.200 -91.000 TYR 60 0.840 -2.413 -8.601 44.074 -99.200 -91.000 PHE 68 1.000 -1.458 -5.026 36.443 -99.200 -91.000 TYR 80 0.840 -10.944 2.720 44.116 -99.200 -91.000 TYR 94 0.840 -6.832 -4.946 32.670 -99.200 -91.000 TYR 95 0.840 -14.853 -8.104 30.685 -99.200 -91.000 PHE 99 1.000 -15.759 -18.487 42.812 -99.200 -91.000 TRP 100 1.040 -24.081 -17.369 43.095 -99.200 -91.000 TRP6 100 1.020 -25.146 -18.940 41.680 -99.200 -91.000 TRP 101 1.040 -23.413 -22.935 44.715 -99.200 -91.000 TRP6 101 1.020 -22.488 -25.058 44.226 -99.200 -91.000 PHE 104 1.000 -14.841 -15.617 38.563 -99.200 -91.000 TYR 106 0.840 -25.523 -10.491 39.038 -99.200 -91.000 TRP 107 1.040 -18.653 -12.140 34.398 -99.200 -91.000 TRP6 107 1.020 -16.390 -12.515 33.812 -99.200 -91.000 PHE 126 1.000 -13.066 12.712 5.903 -99.200 -91.000 TYR 149 0.840 -11.101 5.286 15.635 -99.200 -91.000 PHE 150 1.000 -3.389 4.167 19.196 -99.200 -91.000 TRP 158 1.040 -26.090 5.716 11.586 -99.200 -91.000 TRP6 158 1.020 -25.614 7.104 9.738 -99.200 -91.000 HIS 168 0.900 -25.464 -4.550 8.823 -99.200 -91.000 PHE 170 1.000 -19.057 -3.060 7.644 -99.200 -91.000 TYR 180 0.840 -7.324 0.790 16.320 -99.200 -91.000 TYR 198 0.840 -32.079 8.747 6.733 -99.200 -91.000 HIS 204 0.900 -11.094 8.766 19.817 -99.200 -91.000