============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 27 1.000 57.246 19.229 16.963 -99.200 -91.000 PHE 29 1.000 49.996 20.552 17.572 -99.200 -91.000 TYR 33 0.840 54.579 27.447 25.511 -99.200 -91.000 TRP 36 1.040 52.371 30.794 13.354 -99.200 -91.000 TRP6 36 1.020 52.411 29.958 11.132 -99.200 -91.000 TRP 47 1.040 57.153 35.958 18.981 -99.200 -91.000 TRP6 47 1.020 55.954 37.238 20.571 -99.200 -91.000 TRP 50 1.040 53.568 31.952 23.288 -99.200 -91.000 TRP6 50 1.020 55.241 33.314 24.295 -99.200 -91.000 TYR 52 0.840 51.161 24.677 26.374 -99.200 -91.000 TYR 60 0.840 47.687 36.995 18.976 -99.200 -91.000 HIS 63 0.900 55.002 46.768 18.077 -99.200 -91.000 PHE 64 1.000 53.601 41.661 13.447 -99.200 -91.000 TYR 80 0.840 45.366 25.253 10.242 -99.200 -91.000 PHE 83 1.000 50.146 39.002 9.343 -99.200 -91.000 TYR 93 0.840 54.475 36.537 6.967 -99.200 -91.000 TYR 94 0.840 61.609 31.479 8.142 -99.200 -91.000 TYR 98 0.840 60.531 28.434 24.521 -99.200 -91.000 TYR 100 0.840 61.295 22.746 30.497 -99.200 -91.000 PHE 104 1.000 61.450 30.492 19.379 -99.200 -91.000 TYR 106 0.840 62.277 19.808 16.640 -99.200 -91.000 TRP 107 1.040 63.690 27.764 13.689 -99.200 -91.000 TRP6 107 1.020 63.055 30.022 13.535 -99.200 -91.000 TYR 126 0.840 63.433 33.342 -24.280 -99.200 -91.000 TYR 149 0.840 60.139 34.066 -12.522 -99.200 -91.000 PHE 150 1.000 54.120 39.415 -9.337 -99.200 -91.000 TRP 158 1.040 70.158 22.543 -15.192 -99.200 -91.000 TRP6 158 1.020 70.369 23.401 -17.388 -99.200 -91.000 HIS 168 0.900 77.806 27.567 -10.178 -99.200 -91.000 PHE 170 1.000 74.249 32.308 -11.780 -99.200 -91.000 TYR 179 0.840 60.266 38.524 -8.793 -99.200 -91.000 TRP 192 1.040 74.835 19.607 -25.308 -99.200 -91.000 TRP6 192 1.020 75.983 21.365 -26.388 -99.200 -91.000 HIS 203 0.900 55.262 31.281 -12.350 -99.200 -91.000