============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 12 1.000 10.029 52.008 41.275 -99.200 -91.000 TRP 14 1.040 6.981 53.923 47.254 -99.200 -91.000 TRP6 14 1.020 5.933 55.022 45.434 -99.200 -91.000 TRP 25 1.040 25.832 52.216 60.027 -99.200 -91.000 TRP6 25 1.020 23.803 51.631 61.083 -99.200 -91.000 HIS 27 0.900 19.455 47.019 50.770 -99.200 -91.000 HIS 44 0.900 11.750 38.619 56.165 -99.200 -91.000 TRP 61 1.040 18.950 55.573 40.441 -99.200 -91.000 TRP6 61 1.020 20.802 56.130 39.093 -99.200 -91.000 TYR 77 0.840 12.469 46.352 65.980 -99.200 -91.000 HIS 80 0.900 0.303 41.177 63.038 -99.200 -91.000 TYR 83 0.840 7.663 37.212 62.117 -99.200 -91.000 TYR 90 0.840 9.462 33.239 56.259 -99.200 -91.000 HIS 98 0.900 7.199 53.067 65.693 -99.200 -91.000 TYR 122 0.840 -4.563 45.857 44.274 -99.200 -91.000 TRP 132 1.040 19.565 49.806 45.838 -99.200 -91.000 TRP6 132 1.020 17.983 51.136 47.017 -99.200 -91.000 TRP 170 1.040 -1.765 33.983 55.226 -99.200 -91.000 TRP6 170 1.020 -2.510 34.426 57.412 -99.200 -91.000 HIS 173 0.900 1.509 34.213 52.728 -99.200 -91.000 TRP 209 1.040 7.101 33.271 52.141 -99.200 -91.000 TRP6 209 1.020 6.744 31.303 50.856 -99.200 -91.000 TYR 221 0.840 8.695 26.428 42.662 -99.200 -91.000 TYR 225 0.840 6.482 41.291 46.887 -99.200 -91.000 TYR 231 0.840 -1.379 41.957 57.566 -99.200 -91.000 TRP 234 1.040 -0.471 45.393 63.277 -99.200 -91.000 TRP6 234 1.020 1.570 46.104 62.324 -99.200 -91.000