============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 12 1.040 46.344 9.073 118.584 -99.200 -91.000 TRP6 12 1.020 44.358 9.347 119.838 -99.200 -91.000 TRP 14 1.040 45.564 2.941 121.157 -99.200 -91.000 TRP6 14 1.020 45.051 4.253 123.056 -99.200 -91.000 HIS 21 0.900 60.081 -10.525 102.560 -99.200 -91.000 TYR 24 0.840 58.706 -0.589 101.139 -99.200 -91.000 TRP 25 1.040 60.131 -6.798 106.437 -99.200 -91.000 TRP6 25 1.020 58.742 -8.692 106.723 -99.200 -91.000 HIS 27 0.900 50.315 0.889 107.251 -99.200 -91.000 PHE 28 1.000 49.297 -5.999 105.820 -99.200 -91.000 HIS 35 0.900 48.298 -10.135 126.891 -99.200 -91.000 TRP 38 1.040 47.186 -12.346 122.769 -99.200 -91.000 TRP6 38 1.020 46.541 -13.985 121.194 -99.200 -91.000 HIS 44 0.900 39.529 -5.214 105.544 -99.200 -91.000 HIS 64 0.900 57.539 11.586 111.514 -99.200 -91.000 TYR 66 0.840 57.209 2.306 105.472 -99.200 -91.000 TYR 67 0.840 61.509 8.374 107.767 -99.200 -91.000 HIS 80 0.900 33.834 -14.105 114.665 -99.200 -91.000 PHE 83 1.000 36.598 -11.238 106.694 -99.200 -91.000 TYR 84 0.840 34.612 -15.539 101.533 -99.200 -91.000 HIS 106 0.900 56.335 6.716 122.190 -99.200 -91.000 HIS 108 0.900 49.718 3.114 127.441 -99.200 -91.000 PHE 119 1.000 32.048 2.768 122.714 -99.200 -91.000 TRP 126 1.040 39.716 12.144 119.346 -99.200 -91.000 TRP6 126 1.020 40.725 14.062 118.413 -99.200 -91.000 TRP 130 1.040 51.585 5.721 110.329 -99.200 -91.000 TRP6 130 1.020 51.364 4.062 111.991 -99.200 -91.000 PHE 141 1.000 55.966 7.501 103.766 -99.200 -91.000 HIS 154 0.900 16.651 3.707 111.691 -99.200 -91.000 TYR 160 0.840 27.204 3.155 103.647 -99.200 -91.000 HIS 161 0.900 19.424 0.632 102.616 -99.200 -91.000 TYR 165 0.840 20.135 0.957 90.484 -99.200 -91.000 TRP 203 1.040 42.035 8.202 125.373 -99.200 -91.000 TRP6 203 1.020 40.861 9.352 123.676 -99.200 -91.000 TRP 211 1.040 32.112 -2.395 105.635 -99.200 -91.000 TRP6 211 1.020 30.259 -1.758 104.310 -99.200 -91.000 TYR 224 0.840 35.325 3.433 112.015 -99.200 -91.000 TYR 229 0.840 27.456 -8.855 117.116 -99.200 -91.000 TYR 230 0.840 32.224 -9.731 115.991 -99.200 -91.000 TRP 233 1.040 36.468 -14.936 117.935 -99.200 -91.000 TRP6 233 1.020 38.140 -13.475 117.111 -99.200 -91.000 HIS 235 0.900 37.489 -10.620 127.026 -99.200 -91.000 HIS 236 0.900 38.035 -19.917 122.706 -99.200 -91.000 TYR 237 0.840 40.970 -17.429 119.879 -99.200 -91.000