============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 2 0.900 94.706 -13.935 24.094 -99.200 -91.000 HIS 7 0.900 101.200 -1.018 23.948 -99.200 -91.000 TYR 13 0.840 116.021 -5.305 28.528 -99.200 -91.000 TRP 24 1.040 109.846 -0.540 26.518 -99.200 -91.000 TRP6 24 1.020 108.116 -0.169 28.096 -99.200 -91.000 PHE 26 1.000 115.624 2.239 27.606 -99.200 -91.000 TYR 36 0.840 121.142 -4.722 35.889 -99.200 -91.000 TRP 51 1.040 108.123 7.628 31.259 -99.200 -91.000 TRP6 51 1.020 105.901 7.503 32.125 -99.200 -91.000 HIS 53 0.900 107.625 2.888 20.412 -99.200 -91.000 PHE 57 1.000 95.550 4.746 21.408 -99.200 -91.000 TRP 61 1.040 95.396 -2.085 30.457 -99.200 -91.000 TRP6 61 1.020 96.468 -1.802 32.558 -99.200 -91.000 HIS 64 0.900 101.564 -11.287 34.265 -99.200 -91.000 HIS 66 0.900 112.307 -10.888 37.058 -99.200 -91.000 PHE 67 1.000 109.290 -5.848 42.126 -99.200 -91.000 HIS 70 0.900 119.875 -5.125 43.581 -99.200 -91.000 HIS 78 0.900 115.095 0.220 53.024 -99.200 -91.000 TRP 85 1.040 104.890 6.412 36.900 -99.200 -91.000 TRP6 85 1.020 103.741 7.863 38.387 -99.200 -91.000 TYR 86 0.840 96.739 3.344 30.941 -99.200 -91.000 PHE 97 1.000 107.383 6.154 45.475 -99.200 -91.000 PHE 103 1.000 99.780 10.463 39.481 -99.200 -91.000 HIS 104 0.900 96.352 15.311 34.060 -99.200 -91.000 PHE 109 1.000 102.343 6.240 44.016 -99.200 -91.000 TYR 113 0.840 112.836 5.951 55.223 -99.200 -91.000 PHE 123 1.000 105.766 2.489 54.662 -99.200 -91.000 TYR 125 0.840 100.553 0.102 52.462 -99.200 -91.000 TYR 137 0.840 103.524 9.656 46.993 -99.200 -91.000 HIS 139 0.900 109.099 10.857 49.160 -99.200 -91.000 TRP 145 1.040 98.123 13.691 53.340 -99.200 -91.000 TRP6 145 1.020 97.564 13.501 55.632 -99.200 -91.000 PHE 155 1.000 108.911 -3.816 47.275 -99.200 -91.000 HIS 160 0.900 112.305 -15.610 46.850 -99.200 -91.000 PHE 163 1.000 108.545 -13.021 38.563 -99.200 -91.000 TYR 168 0.840 91.104 -0.076 34.184 -99.200 -91.000 TRP 185 1.040 100.161 -13.829 39.086 -99.200 -91.000 TRP6 185 1.020 101.957 -12.298 39.168 -99.200 -91.000 TYR 200 0.840 95.642 8.708 30.481 -99.200 -91.000 TYR 201 0.840 102.578 8.174 25.865 -99.200 -91.000 PHE 202 1.000 100.373 -0.063 30.304 -99.200 -91.000 HIS 215 0.900 114.797 2.137 43.889 -99.200 -91.000 PHE 223 1.000 101.054 -11.636 29.401 -99.200 -91.000 HIS 229 0.900 84.778 -3.776 27.067 -99.200 -91.000 TRP 233 1.040 85.617 2.737 25.543 -99.200 -91.000 TRP6 233 1.020 85.756 1.324 27.442 -99.200 -91.000 PHE 242 1.000 85.964 6.485 45.933 -99.200 -91.000