============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 29 1.000 10.518 79.166 89.174 -99.200 -91.000 TYR 32 0.840 12.216 82.254 96.586 -99.200 -91.000 PHE 34 1.000 13.804 77.597 92.713 -99.200 -91.000 TRP 36 1.040 17.683 70.136 90.911 -99.200 -91.000 TRP6 36 1.020 15.930 68.653 91.468 -99.200 -91.000 TRP 47 1.040 25.874 72.903 95.524 -99.200 -91.000 TRP6 47 1.020 26.879 73.605 93.504 -99.200 -91.000 HIS 59 0.900 27.252 79.267 87.439 -99.200 -91.000 TYR 60 0.840 24.788 72.171 85.457 -99.200 -91.000 HIS 63 0.900 34.694 64.993 90.913 -99.200 -91.000 TYR 80 0.840 10.931 70.430 84.446 -99.200 -91.000 TYR 94 0.840 19.699 62.145 92.251 -99.200 -91.000 PHE 95 1.000 16.869 65.252 100.180 -99.200 -91.000 TYR 100 0.840 13.526 87.279 98.528 -99.200 -91.000 TYR 109 0.840 20.044 86.565 91.884 -99.200 -91.000 PHE 113 1.000 21.548 81.647 103.065 -99.200 -91.000 HIS 116 0.900 11.996 78.657 101.662 -99.200 -91.000 TRP 117 1.040 16.766 72.168 102.157 -99.200 -91.000 TRP6 117 1.020 18.564 70.841 101.363 -99.200 -91.000 PHE 136 1.000 2.756 37.594 103.623 -99.200 -91.000 TYR 159 0.840 9.663 47.001 99.563 -99.200 -91.000 PHE 160 1.000 14.903 46.588 93.042 -99.200 -91.000 TRP 168 1.040 0.891 51.284 111.896 -99.200 -91.000 TRP6 168 1.020 0.165 49.036 111.946 -99.200 -91.000 HIS 178 0.900 9.771 52.808 117.441 -99.200 -91.000 PHE 180 1.000 12.019 47.795 113.488 -99.200 -91.000 TYR 190 0.840 15.515 47.156 98.799 -99.200 -91.000 TYR 208 0.840 -4.706 48.855 117.493 -99.200 -91.000 HIS 214 0.900 6.842 48.948 95.403 -99.200 -91.000