============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 22.888 38.400 45.826 -99.200 -91.000 HIS 15 0.900 17.551 54.080 45.303 -99.200 -91.000 HIS 61 0.900 7.458 42.997 28.684 -99.200 -91.000 PHE 68 1.000 -3.248 48.611 33.677 -99.200 -91.000 HIS 83 0.900 3.049 35.158 48.383 -99.200 -91.000 PHE 85 1.000 6.056 39.417 44.188 -99.200 -91.000 PHE 88 1.000 12.439 45.456 35.345 -99.200 -91.000 PHE 93 1.000 9.195 54.635 31.208 -99.200 -91.000 TYR 104 0.840 8.518 56.392 36.370 -99.200 -91.000 PHE 109 1.000 -0.509 50.500 30.018 -99.200 -91.000 TRP 114 1.040 1.279 50.235 38.354 -99.200 -91.000 TRP6 114 1.020 2.625 48.725 37.152 -99.200 -91.000 HIS 121 0.900 16.201 50.070 25.088 -99.200 -91.000 HIS 140 0.900 10.175 58.361 48.920 -99.200 -91.000 TYR 160 0.840 23.537 51.647 23.563 -99.200 -91.000 HIS 171 0.900 21.717 60.887 35.554 -99.200 -91.000 PHE 174 1.000 14.583 57.177 38.719 -99.200 -91.000 PHE 178 1.000 24.605 49.354 35.223 -99.200 -91.000 PHE 190 1.000 25.473 51.800 40.091 -99.200 -91.000 HIS 192 0.900 26.072 44.388 37.369 -99.200 -91.000 TYR 210 0.840 15.862 31.523 25.952 -99.200 -91.000 TYR 244 0.840 14.742 28.183 34.729 -99.200 -91.000 TRP 249 1.040 20.898 30.763 47.371 -99.200 -91.000 TRP6 249 1.020 20.689 33.093 47.709 -99.200 -91.000 TYR 252 0.840 24.880 35.008 46.352 -99.200 -91.000