============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 19 0.840 -60.741 -15.270 -38.012 -99.200 -91.000 PHE 24 1.000 -63.419 -7.479 -46.405 -99.200 -91.000 TYR 33 0.840 -69.983 2.215 -26.633 -99.200 -91.000 TYR 36 0.840 -77.126 -4.333 -26.030 -99.200 -91.000 PHE 42 1.000 -59.826 -6.074 -32.093 -99.200 -91.000 PHE 55 1.000 -65.828 -12.095 -42.068 -99.200 -91.000 HIS 59 0.900 -69.380 -20.053 -34.338 -99.200 -91.000 HIS 63 0.900 -66.270 -22.450 -34.247 -99.200 -91.000 HIS 68 0.900 -73.023 -22.425 -25.130 -99.200 -91.000 TYR 72 0.840 -76.294 -15.058 -31.285 -99.200 -91.000 TRP 77 1.040 -75.022 -0.527 -30.543 -99.200 -91.000 TRP6 77 1.020 -77.075 0.183 -29.555 -99.200 -91.000 TRP 86 1.040 -78.167 -3.921 -48.971 -99.200 -91.000 TRP6 86 1.020 -80.061 -4.856 -50.047 -99.200 -91.000 TYR 100 0.840 -82.813 -29.814 -49.290 -99.200 -91.000 PHE 105 1.000 -73.322 -22.772 -51.190 -99.200 -91.000 PHE 111 1.000 -86.894 -17.442 -36.986 -99.200 -91.000 TYR 120 0.840 -84.531 -15.665 -27.115 -99.200 -91.000 PHE 122 1.000 -80.199 -4.819 -30.842 -99.200 -91.000 PHE 123 1.000 -86.530 -1.729 -29.876 -99.200 -91.000 HIS 130 0.900 -94.493 -6.965 -28.235 -99.200 -91.000 PHE 137 1.000 -84.329 -16.271 -42.919 -99.200 -91.000 HIS 157 0.900 -81.880 -28.043 -52.428 -99.200 -91.000 TYR 162 0.840 -80.924 -22.220 -39.052 -99.200 -91.000 PHE 170 1.000 -73.346 -31.390 -33.752 -99.200 -91.000 TRP 179 1.040 -85.043 -31.090 -34.000 -99.200 -91.000 TRP6 179 1.020 -86.330 -30.224 -32.198 -99.200 -91.000 TYR 183 0.840 -91.329 -28.567 -33.956 -99.200 -91.000 TYR 206 0.840 -79.747 -12.346 -40.598 -99.200 -91.000 TYR 215 0.840 -77.181 -36.161 -46.138 -99.200 -91.000 PHE 218 1.000 -82.988 -37.675 -39.632 -99.200 -91.000 TYR 244 0.840 -65.623 -10.327 -55.945 -99.200 -91.000