============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 7 1.000 15.608 14.214 33.787 -99.200 -91.000 PHE 11 1.000 17.491 8.171 34.041 -99.200 -91.000 TRP 15 1.040 19.315 3.435 35.294 -99.200 -91.000 TRP6 15 1.020 20.416 1.986 33.804 -99.200 -91.000 TRP 19 1.040 21.097 -0.287 37.308 -99.200 -91.000 TRP6 19 1.020 20.329 -2.439 37.844 -99.200 -91.000 HIS 22 0.900 27.627 -4.003 42.459 -99.200 -91.000 HIS 30 0.900 18.023 7.443 39.586 -99.200 -91.000 TYR 31 0.840 13.744 2.584 37.276 -99.200 -91.000 PHE 35 1.000 10.034 0.194 37.567 -99.200 -91.000 TYR 60 0.840 11.985 -11.517 38.448 -99.200 -91.000 TRP 61 1.040 15.771 -4.645 37.986 -99.200 -91.000 TRP6 61 1.020 15.091 -2.402 37.855 -99.200 -91.000 HIS 71 0.900 31.719 -1.212 35.745 -99.200 -91.000 PHE 72 1.000 24.209 -2.369 34.060 -99.200 -91.000 TRP 74 1.040 26.426 6.998 29.634 -99.200 -91.000 TRP6 74 1.020 26.841 9.099 30.644 -99.200 -91.000 HIS 87 0.900 24.912 1.714 22.685 -99.200 -91.000 TYR 88 0.840 23.127 -0.600 29.912 -99.200 -91.000 PHE 100 1.000 16.461 3.987 31.427 -99.200 -91.000 HIS 101 0.900 8.965 5.953 26.674 -99.200 -91.000 PHE 102 1.000 13.114 9.990 32.592 -99.200 -91.000 HIS 114 0.900 15.156 -1.632 23.032 -99.200 -91.000 TYR 115 0.840 19.891 -6.513 27.323 -99.200 -91.000