Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.82 M 0.17 C Shift Assignments>> C :: 173.325 CA :: 51.979 CB :: 19.051 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.075 HB1 :: 1.567 HB2 :: 1.567 HB3 :: 1.567 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.L2 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.63 G 0.22 R 0.14 C Shift Assignments>> C :: 178.761 CA :: 56.094 CB :: 43.925 CG :: 27.143 CD1 :: 24.315 CD2 :: 25.469 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 11.219(S) HA :: 4.309 HB2 :: 1.367 HB3 :: 1.666 HG :: 1.543 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.738 Ave N Shift Values>> N :: 121.98(4.07) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.34 C Shift Assignments>> C :: 177.249 CA :: 53.833 CB :: 19.119 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.455 HA :: 3.900 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.210 Ave N Shift Values>> N :: 123.23(3.7) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 174.430 CA :: 45.271 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.891 HA2 :: 4.067 HA3 :: 4.535 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.125 Ave N Shift Values>> N :: 109.91(4.29) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.808 CA :: 60.569 CB :: 72.060 CG2 :: 21.396 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.753 HA :: 4.967 HB :: 4.449 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.879 Ave N Shift Values>> N :: 115.7(5.05) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 A 0.1 C Shift Assignments>> C :: 176.417 CA :: 58.229 CB :: 41.210 CG1 :: 25.902 CG2 :: 19.057 CD1 :: 14.455 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.790 HA :: 5.606 HB :: 1.892 HG12 :: 1.371 HG13 :: 1.605 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 HD11 :: 0.988 HD12 :: 0.988 HD13 :: 0.988 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 110.483 Ave N Shift Values>> N :: 121.6(4.72) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 G 0.38 A 0.03 C Shift Assignments>> C :: 175.180 CA :: 59.115 CB :: 43.257 CG1 :: 25.386 CG2 :: 17.864 CD1 :: 14.148 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.022 HA :: 4.837 HB :: 2.011 HG12 :: 1.324 HG13 :: 1.324 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.857 Ave N Shift Values>> N :: 121.6(4.72) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 I 0.01 HN Overlap>> 1.I171 1.I171 C Shift Assignments>> C :: 180.160 CA :: 53.570 CB :: 17.804 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.726 HA :: 4.340 HB1 :: 1.514 HB2 :: 1.514 HB3 :: 1.514 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.962 Ave N Shift Values>> N :: 123.23(3.7) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.55 G 0.15 A 0.15 N 0.07 D 0.02 C Shift Assignments>> C :: 176.209 CA :: 48.512 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.378 HA2 :: 3.468 HA3 :: 3.695 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.340 Ave N Shift Values>> N :: 109.91(4.29) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.36 C Shift Assignments>> C :: 178.155 CA :: 53.706 CB :: 18.436 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.419 HA :: 4.178 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.206 Ave N Shift Values>> N :: 123.23(3.7) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.669 CA :: 58.429 CB :: 64.192 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.810 HA :: 4.505 HB2 :: 4.088 HB3 :: 4.088 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.555 Ave N Shift Values>> N :: 116.3(3.95) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.08 K 0.02 C Shift Assignments>> C :: 173.899 CA :: 56.814 CB :: 40.822 CG :: 26.801 CD1 :: 23.772 CD2 :: 26.837 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.414 HA :: 4.028 HB2 :: 1.085 HB3 :: 2.247 HG :: 1.492 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.963 HD22 :: 0.963 HD23 :: 0.963 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.035 Ave N Shift Values>> N :: 121.98(4.07) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 A 0.13 C Shift Assignments>> C :: 175.469 CA :: 59.263 CB :: 74.245 CG2 :: 21.217 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.828 HA :: 4.922 HB :: 4.797 HG21 :: 1.260 HG22 :: 1.260 HG23 :: 1.260 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.002 Ave N Shift Values>> N :: 115.7(5.05) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 I 0.25 E 0.23 F 0.16 M 0.02 K 0.01 V 0.01 C Shift Assignments>> C :: 177.348 CA :: 59.334 CB :: 37.146 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.323 HA :: 4.406 HB2 :: 3.191 HB3 :: 3.366 HD1 :: 7.402 HD2 :: 7.402 HE1 :: 7.254 HE2 :: 7.254 HZ :: 7.019 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.682 Ave N Shift Values>> N :: 120.69(4.18) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 I 0.23 K 0.23 Q 0.2 R 0.04 P 0.03 C Shift Assignments>> C :: 179.501 CA :: 60.143 CB :: 28.075 CG :: 34.834 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.171 HA :: 4.291 HB2 :: 2.114 HB3 :: 2.178 HG2 :: 2.522 HG3 :: 2.522 HE21 :: 6.923 HE22 :: 7.661 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.802 NE2 :: 112.310 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.089 CA :: 66.341 CB :: 32.379 CG1 :: 21.949 CG2 :: 22.956 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.477 HA :: 3.710 HB :: 2.270 HG11 :: 1.015 HG12 :: 1.015 HG13 :: 1.015 HG21 :: 1.241 HG22 :: 1.241 HG23 :: 1.241 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.852 Ave N Shift Values>> N :: 121.02(4.96) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 A 0.08 R 0.05 C Shift Assignments>> C :: 178.778 CA :: 57.754 CB :: 40.255 CG :: 26.594 CD1 :: 21.894 CD2 :: 26.584 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.420 HA :: 3.971 HB2 :: 1.830 HB3 :: 1.168 HG :: 1.817 HD11 :: 0.644 HD12 :: 0.644 HD13 :: 0.644 HD21 :: 0.806 HD22 :: 0.806 HD23 :: 0.806 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.875 Ave N Shift Values>> N :: 121.98(4.07) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.31 I 0.11 D 0.08 L 0.07 K 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 179.407 CA :: 57.806 CB :: 39.798 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.621 HA :: 4.517 HB2 :: 2.615 HB3 :: 2.861 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.896 Ave N Shift Values>> N :: 120.73(4.2) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.36 M 0.02 G 0.01 C Shift Assignments>> C :: 179.899 CA :: 59.246 CB :: 31.653 CG :: 25.262 CD :: 28.937 CE :: 42.019 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.454 HA :: 4.123 HB2 :: 1.890 HB3 :: 2.155 HG2 :: 1.514 HG3 :: 1.688 HD2 :: 1.689 HD3 :: 1.689 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.465 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.969 CA :: 66.171 CB :: 30.941 CG1 :: 23.286 CG2 :: 23.286 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.676 HA :: 3.664 HB :: 2.472 HG11 :: 1.028 HG12 :: 1.028 HG13 :: 1.028 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.022 Ave N Shift Values>> N :: 121.02(4.96) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.08 G 0.05 C Shift Assignments>> C :: 181.128 CA :: 58.398 CB :: 42.293 CG :: 25.731 CD1 :: 23.178 CD2 :: 25.811 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.127 HA :: 3.990 HB2 :: 1.257 HB3 :: 2.216 HG :: 1.264 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 HD21 :: 0.735 HD22 :: 0.735 HD23 :: 0.735 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.271 Ave N Shift Values>> N :: 121.98(4.07) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 K 0.27 Q 0.27 I 0.09 R 0.03 M 0.03 C Shift Assignments>> C :: 179.555 CA :: 59.023 CB :: 28.819 CG :: 34.626 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.109 HA :: 4.042 HB2 :: 2.200 HB3 :: 2.408 HG2 :: 2.408 HG3 :: 2.528 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.803 Ave N Shift Values>> N :: 120.68(3.68) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 K 0.27 Q 0.24 I 0.07 M 0.02 R 0.02 C Shift Assignments>> C :: 177.336 CA :: 57.647 CB :: 28.632 CG :: 35.131 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.807 HA :: 4.262 HB2 :: 2.188 HB3 :: 2.315 HG2 :: 2.337 HG3 :: 2.927 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.236 Ave N Shift Values>> N :: 120.68(3.68) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.31 R 0.23 C Shift Assignments>> C :: 177.383 CA :: 55.986 CB :: 44.471 CG :: 27.332 CD1 :: 24.545 CD2 :: 27.489 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.221 HA :: 4.218 HB2 :: 1.441 HB3 :: 1.970 HG :: 1.949 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.999 HD22 :: 0.999 HD23 :: 0.999 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.900 Ave N Shift Values>> N :: 121.98(4.07) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.14 R 0.08 F 0.01 C Shift Assignments>> C :: 174.713 CA :: 44.969 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.412 HA2 :: 3.867 HA3 :: 4.093 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.794 Ave N Shift Values>> N :: 109.91(4.29) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.4 M 0.04 G 0.01 C Shift Assignments>> C :: 175.523 CA :: 56.305 CB :: 30.959 CG :: 24.836 CD :: 29.132 CE :: 42.097 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.630 HA :: 4.331 HB2 :: 1.719 HB3 :: 1.898 HG2 :: 1.382 HG3 :: 1.463 HD2 :: 1.689 HD3 :: 1.689 HE2 :: 3.004 HE3 :: 3.004 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.393 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.619 CA :: 61.091 CB :: 33.772 CG1 :: 21.755 CG2 :: 21.755 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.607 HA :: 4.459 HB :: 2.067 HG11 :: 1.008 HG12 :: 1.008 HG13 :: 1.008 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.592 Ave N Shift Values>> N :: 121.02(4.96) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N65 1.N65 C Shift Assignments>> C :: 176.436 CA :: 60.920 CB :: 63.889 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.605 HA :: 4.299 HB2 :: 4.023 HB3 :: 4.023 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.069 Ave N Shift Values>> N :: 116.3(3.95) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.26 G 0.07 C Shift Assignments>> C :: 174.107 CA :: 52.807 CB :: 31.333 CG :: 27.090 CD :: 42.583 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.623 HA :: 5.440 HB2 :: 1.484 HB3 :: 1.804 HG2 :: 1.625 HG3 :: 1.625 HD2 :: 3.430 HD3 :: 3.690 HE :: 7.077 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.145 NE :: 85.457 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.47 R 0.25 K 0.11 A 0.07 G 0.07 C Shift Assignments>> C :: 172.212 CA :: 54.794 CB :: 36.159 CG :: 23.450 CD :: 32.008 CE :: 42.322 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.253 HA :: 4.934 HB2 :: 1.750 HB3 :: 2.216 HG2 :: 1.180 HG3 :: 1.358 HD2 :: 2.328 HD3 :: 2.645(S) HE2 :: 2.940 HE3 :: 3.141 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.455 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.01 C Shift Assignments>> C :: 170.836 CA :: 58.304 CB :: 41.352 CG1 :: 28.323 CG2 :: 15.738 CD1 :: 13.681 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.636 HA :: 5.222 HB :: 1.315 HG12 :: 0.305 HG13 :: 0.952 HG21 :: 0.302 HG22 :: 0.302 HG23 :: 0.302 HD11 :: -0.106 HD12 :: -0.106 HD13 :: -0.106 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.383 Ave N Shift Values>> N :: 121.6(4.72) 1.A32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.83 L 0.09 K 0.02 R 0.02 C Shift Assignments>> C :: 174.213 CA :: 50.101 CB :: 25.464(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.975 HA :: 4.697 HB1 :: 1.276 HB2 :: 1.276 HB3 :: 1.276 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.155 Ave N Shift Values>> N :: 123.23(3.7) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.N113 1.N113 C Shift Assignments>> C :: 174.216 CA :: 60.440 CB :: 35.373 CG1 :: 21.774 CG2 :: 21.979 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.693 HA :: 4.992 HB :: 1.866 HG11 :: 1.073 HG12 :: 1.073 HG13 :: 1.073 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.240 Ave N Shift Values>> N :: 121.02(4.96) 1.G34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 172.672 CA :: 45.557 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.074 HA2 :: 3.460 HA3 :: 5.983(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.379 Ave N Shift Values>> N :: 109.91(4.29) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.974 CA :: 59.761 CB :: 40.209 CG1 :: 26.955 CG2 :: 17.719 CD1 :: 14.745 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.520 HA :: 5.396 HB :: 2.101 HG12 :: 1.319 HG13 :: 1.746 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 HD11 :: 1.144 HD12 :: 1.144 HD13 :: 1.144 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.773 Ave N Shift Values>> N :: 121.6(4.72) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.26 K 0.14 N 0.08 R 0.08 F 0.06 Y 0.04 C Shift Assignments>> C :: 174.413 CA :: 53.475 CB :: 41.840 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.431 HA :: 4.540 HB2 :: 2.667 HB3 :: 2.989 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.331 Ave N Shift Values>> N :: 120.73(4.2) 1.N37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.45 E 0.15 M 0.14 Y 0.08 K 0.05 F 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 173.199 CA :: 53.147 CB :: 36.320 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.776 HA :: 4.483 HB2 :: 0.406(S) HB3 :: 3.034 HD21 :: 5.410(S) HD22 :: 7.211 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.897 ND2 :: 111.065 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 K 0.3 Q 0.15 P 0.05 M 0.03 C Shift Assignments>> C :: 179.273 CA :: 53.191 CB :: 26.580 CG :: 32.229 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.469 HA :: 5.001 HB2 :: 1.743 HB3 :: 2.532 HG2 :: 2.328 HG3 :: 2.328 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.608 Ave N Shift Values>> N :: 120.68(3.68) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.66 T 0.33 C Shift Assignments>> C :: 174.412 CA :: 60.502 CB :: 66.183 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.928 HA :: 4.083 HB2 :: 4.096 HB3 :: 4.422 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.842 Ave N Shift Values>> N :: 116.3(3.95) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> C :: 173.525 CA :: 45.243 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.479 HA2 :: 3.505 HA3 :: 4.509 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.530 Ave N Shift Values>> N :: 109.91(4.29) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.22 R 0.18 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.744 CA :: 44.512 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.467 HA2 :: 4.061 HA3 :: 4.567 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.087 Ave N Shift Values>> N :: 109.91(4.29) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.A87 1.A87 C Shift Assignments>> C :: 174.717 CA :: 62.885 CB :: 70.168 CG2 :: 22.144 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.769 HA :: 4.295 HB :: 4.058 HG21 :: 1.241 HG22 :: 1.241 HG23 :: 1.241 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.928 Ave N Shift Values>> N :: 115.7(5.05) 1.W43 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 H 0.4 C Shift Assignments>> C :: 175.805 CA :: 52.770 CB :: 33.020 CD1 :: 120.657 CE3 :: 116.685 CZ2 :: 110.876(A) CZ3 :: 118.149 CH2 :: 121.122 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.104 HA :: 5.959 HB2 :: 3.266 HB3 :: 3.313 HD1 :: 6.989 HE1 :: 8.821 HE3 :: 6.422 HZ2 :: 6.972 HZ3 :: 6.481 HH2 :: 6.822 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 126.426 NE1 :: 125.619 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.194 CA :: 61.036 CB :: 71.582 CG2 :: 21.476 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.638 HA :: 5.681 HB :: 4.255 HG21 :: 1.452 HG22 :: 1.452 HG23 :: 1.452 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.232 Ave N Shift Values>> N :: 115.7(5.05) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.43 L 0.03 V 0.01 I 0.01 C Shift Assignments>> C :: 177.668 CA :: 54.659 CB :: 19.758 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.400 HA :: 3.010 HB1 :: 1.139 HB2 :: 1.139 HB3 :: 1.139 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.399 Ave N Shift Values>> N :: 123.23(3.7) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.1 A 0.04 K 0.03 C Shift Assignments>> C :: 174.621 CA :: 55.400 CB :: 40.674 CG :: 27.109 CD1 :: 23.508 CD2 :: 27.225 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.833 HA :: 4.633 HB2 :: 1.320 HB3 :: 1.735 HG :: 1.543 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 HD21 :: 0.700 HD22 :: 0.700 HD23 :: 0.700 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.818 Ave N Shift Values>> N :: 121.98(4.07) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.31 L 0.08 Y 0.08 F 0.08 K 0.01 C Shift Assignments>> C :: 170.641 CA :: 53.126 CB :: 39.636 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.499 HA :: 4.683 HB2 :: 3.040 HB3 :: 2.850 HD21 :: 7.299 HD22 :: 8.088 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.450 ND2 :: 115.380 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 A 0.13 K 0.11 M 0.08 P 0.03 R 0.01 HN Overlap>> 1.E148 1.E148 C Shift Assignments>> C :: 175.690 CA :: 51.031 CB :: 23.536 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.734 HA :: 5.021 HB1 :: 1.574 HB2 :: 1.574 HB3 :: 1.574 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.527 Ave N Shift Values>> N :: 123.23(3.7) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 Y 0.35 C Shift Assignments>> C :: 172.520 CA :: 56.471 CB :: 40.438 CD1 :: 130.723 CD2 :: 130.723 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.551 HA :: 4.876 HB2 :: 2.659 HB3 :: 2.659 HD1 :: 6.795 HD2 :: 6.795 HE1 :: 6.475 HE2 :: 6.475 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.016 Ave N Shift Values>> N :: 120.79(4.69) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.29 D 0.11 I 0.08 L 0.06 N 0.05 E 0.03 K 0.01 C Shift Assignments>> C :: 175.313 CA :: 57.044 CB :: 39.212 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.622 HA :: 4.353 HB2 :: 2.426 HB3 :: 2.793 HD1 :: 7.069 HD2 :: 7.069 HE1 :: 7.364 HE2 :: 7.364 HZ :: 7.240 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.744 Ave N Shift Values>> N :: 120.69(4.18) 1.R51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.63 K 0.29 G 0.05 L 0.01 C Shift Assignments>> C :: 176.635 CA :: 56.168 CB :: 30.937 CG :: 26.400 CD :: 42.869 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.951 HA :: 3.790 HB2 :: 0.866(S) HB3 :: 1.035 HG2 :: 1.163 HG3 :: 1.208 HD2 :: 2.585 HD3 :: 2.778 HE :: 7.213 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.978 NE :: 84.683 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 173.575 CA :: 58.203 CB :: 65.981 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.038 HA :: 4.663 HB2 :: 3.466 HB3 :: 3.633 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.500 Ave N Shift Values>> N :: 116.3(3.95) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 172.801 CA :: 45.061 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.667 HA2 :: 3.693 HA3 :: 4.886 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.848 Ave N Shift Values>> N :: 109.91(4.29) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 A 0.08 S 0.06 C Shift Assignments>> C :: 170.107 CA :: 59.116 CB :: 68.473 CG2 :: 18.763 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.984 HA :: 3.409 HB :: 3.911 HG21 :: 0.755 HG22 :: 0.755 HG23 :: 0.755 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.999 Ave N Shift Values>> N :: 115.7(5.05) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 A 0.05 S 0.01 C Shift Assignments>> C :: 172.054 CA :: 58.929 CB :: 68.782 CG2 :: 19.485 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.737 HA :: 4.505 HB :: 4.120 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.830 Ave N Shift Values>> N :: 115.7(5.05) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.23 D 0.17 K 0.08 G 0.05 F 0.04 Y 0.03 N 0.02 C Shift Assignments>> C :: 176.005 CA :: 53.952 CB :: 43.109 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.935 HA :: 4.886 HB2 :: 2.334 HB3 :: 2.904 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.097 Ave N Shift Values>> N :: 120.73(4.2) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 I 0.08 A 0.02 C Shift Assignments>> C :: 174.810 CA :: 59.563 CB :: 35.087 CG1 :: 18.840 CG2 :: 21.514 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.959 HA :: 4.792 HB :: 2.243 HG11 :: 0.770 HG12 :: 0.770 HG13 :: 0.770 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 113.936 Ave N Shift Values>> N :: 121.02(4.96) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.273 CA :: 59.843 CB :: 39.685 CG1 :: 27.156 CG2 :: 17.795 CD1 :: 13.095 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.175 HA :: 4.375 HB :: 1.878 HG12 :: 1.249 HG13 :: 1.492 HG21 :: 1.032 HG22 :: 1.032 HG23 :: 1.032 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.139 Ave N Shift Values>> N :: 121.6(4.72) 1.L59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.87 A 0.06 G 0.03 R 0.02 C Shift Assignments>> CA :: 53.037 CB :: 42.266 CG :: 26.117 CD1 :: 23.323 CD2 :: 24.897 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.932 HA :: 4.050 HB2 :: 1.220 HB3 :: 1.385 HG :: 1.307 HD11 :: -0.125(S) HD12 :: -0.125(S) HD13 :: -0.125(S) HD21 :: 0.265 HD22 :: 0.265 HD23 :: 0.265 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.800 Ave N Shift Values>> N :: 121.98(4.07) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.103 CA :: 63.614 CB :: 31.706 CG :: 28.590 CD :: 49.928 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.274 HB2 :: 2.265 HB3 :: 1.771 HG2 :: 2.162 HG3 :: 1.897 HD2 :: 3.699 HD3 :: 4.132 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.25 R 0.15 M 0.07 E 0.07 P 0.04 I 0.02 C Shift Assignments>> C :: 175.573 CA :: 60.045 CB :: 29.129 CG :: 32.835 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.724 HA :: 3.871 HB2 :: 1.852 HB3 :: 2.102 HG2 :: 1.913 HG3 :: 2.108 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.503 Ave N Shift Values>> N :: 120.68(3.68) 1.F62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 F 0.24 Y 0.01 C Shift Assignments>> C :: 175.759 CA :: 55.632 CB :: 42.626 CD1 :: 129.985 CD2 :: 129.985 CE1 :: 126.910 CE2 :: 126.910(S) CZ :: 126.181 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.778 HA :: 5.895 HB2 :: 2.971 HB3 :: 3.026 HD1 :: 6.902 HD2 :: 6.902 HE1 :: 7.157 HE2 :: 7.157 HZ :: 7.153 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.636 Ave N Shift Values>> N :: 120.69(4.18) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 C Shift Assignments>> CA :: 58.814 CB :: 33.052 CG1 :: 21.572 CG2 :: 21.408 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.123 HA :: 4.487 HB :: 2.028 HG11 :: 0.602 HG12 :: 0.602 HG13 :: 0.602 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.230 Ave N Shift Values>> N :: 121.02(4.96) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.230 CA :: 62.143 CB :: 32.298 CG :: 27.340 CD :: 51.475 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.485 HB2 :: 1.675 HB3 :: 2.418 HG2 :: 1.896 HG3 :: 2.032 HD2 :: 3.296 HD3 :: 3.755 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 N 0.26 Y 0.17 F 0.15 L 0.09 I 0.01 E 0.01 K 0.01 HN Overlap>> 1.S28 1.S28 C Shift Assignments>> C :: 177.694 CA :: 54.782 CB :: 39.401 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.583 HA :: 4.249 HB2 :: 2.136 HB3 :: 2.466 HD21 :: 7.134 HD22 :: 7.881 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.163 ND2 :: 116.539 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.322 CA :: 65.422 CB :: 69.127 CG2 :: 21.834 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.200 HA :: 4.843 HB :: 4.566 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.207 Ave N Shift Values>> N :: 115.7(5.05) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.33 G 0.04 M 0.01 C Shift Assignments>> C :: 173.090 CA :: 53.049 CB :: 32.860 CG :: 25.599 CD :: 28.008 CE :: 42.403 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.831 HA :: 4.932 HB2 :: 1.761 HB3 :: 2.084 HG2 :: 1.184 HG3 :: 1.184 HD2 :: 1.320 HD3 :: 1.636 HE2 :: 2.774 HE3 :: 2.911 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.359 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.41 L 0.24 A 0.15 P 0.09 M 0.04 K 0.02 C Shift Assignments>> C :: 175.984 CA :: 48.829 CB :: 23.475 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.402 HA :: 5.842(S) HB1 :: 1.140 HB2 :: 1.140 HB3 :: 1.140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.386 Ave N Shift Values>> N :: 123.23(3.7) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 G 0.41 L 0.16 C Shift Assignments>> C :: 174.451 CA :: 53.216 CB :: 43.863 CG :: 25.893 CD1 :: 28.711 CD2 :: 25.857 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.663 HA :: 5.004 HB2 :: 1.695 HB3 :: 1.761 HG :: 2.237 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.560 Ave N Shift Values>> N :: 121.98(4.07) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.34 R 0.02 A 0.01 C Shift Assignments>> C :: 176.669 CA :: 53.022 CB :: 45.056 CG :: 26.860 CD1 :: 26.429 CD2 :: 24.214 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.104 HA :: 5.677 HB2 :: 1.008 HB3 :: 2.258 HG :: 1.624 HD11 :: 0.694 HD12 :: 0.694 HD13 :: 0.694 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.366 Ave N Shift Values>> N :: 121.98(4.07) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.25 K 0.17 D 0.1 F 0.08 Y 0.06 G 0.01 C Shift Assignments>> C :: 171.373 CA :: 56.261 CB :: 42.698 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.864 HA :: 4.879 HB2 :: 2.183 HB3 :: 2.854 HD1 :: 6.551 HD2 :: 6.551 HE1 :: 6.744 HE2 :: 6.744 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.879 Ave N Shift Values>> N :: 120.79(4.69) 1.S72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 171.111 CA :: 56.071 CB :: 66.174 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.054(S) HA :: 5.122 HB2 :: 3.637 HB3 :: 3.972 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.182 Ave N Shift Values>> N :: 116.3(3.95) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 R 0.29 L 0.28 F 0.03 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.730 CA :: 44.088 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.103 HA2 :: 3.637 HA3 :: 4.702 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.046 Ave N Shift Values>> N :: 109.91(4.29) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 K 0.37 G 0.16 C Shift Assignments>> C :: 173.946 CA :: 55.143 CB :: 33.332 CG :: 26.114 CD :: 43.378 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.219 HA :: 5.083 HB2 :: 1.877 HB3 :: 2.156 HG2 :: 1.406 HG3 :: 1.406 HD2 :: 3.072 HD3 :: 3.072 HE :: 7.156 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.385 NE :: 84.800 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 K 0.27 M 0.21 A 0.14 HN Overlap>> 1.L134 1.L134 C Shift Assignments>> C :: 175.244 CA :: 55.596 CB :: 32.465 CG :: 21.763 CD :: 28.521 CE :: 41.389 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.558 HA :: 4.545 HB2 :: 1.500 HB3 :: 2.305 HG2 :: 1.521 HG3 :: 1.792 HD2 :: 1.806 HD3 :: 2.200 HE2 :: 3.404 HE3 :: 3.538 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.464 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.15 N 0.09 F 0.08 Y 0.07 R 0.05 C Shift Assignments>> C :: 176.091 CA :: 54.310 CB :: 41.375 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.366 HA :: 4.431 HB2 :: 2.408 HB3 :: 2.761 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.556 Ave N Shift Values>> N :: 120.73(4.2) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.816 CA :: 62.920 CB :: 69.434 CG2 :: 21.380 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.401 HA :: 4.190 HB :: 4.267 HG21 :: 1.261 HG22 :: 1.261 HG23 :: 1.261 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.253 Ave N Shift Values>> N :: 115.7(5.05) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.22 R 0.17 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.535 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.435 HA2 :: 3.979 HA3 :: 4.396 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.736 Ave N Shift Values>> N :: 109.91(4.29) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.755 CA :: 63.655 CB :: 30.872 CG :: 26.976 CD :: 49.674 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.599 HB2 :: 2.129 HB3 :: 2.169 HG2 :: 1.924 HG3 :: 2.066 HD2 :: 3.546 HD3 :: 3.719 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.474 CA :: 61.746 CB :: 32.564 CG1 :: 21.112 CG2 :: 20.380 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.701 HA :: 4.009 HB :: 1.990 HG11 :: 0.862 HG12 :: 0.862 HG13 :: 0.862 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.663 Ave N Shift Values>> N :: 121.02(4.96) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.17 HN Overlap>> 1.R124 1.R124 C Shift Assignments>> C :: 176.197 CA :: 51.080 CB :: 17.535 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.342 HA :: 3.376 HB1 :: 0.739 HB2 :: 0.739 HB3 :: 0.739 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.440 Ave N Shift Values>> N :: 123.23(3.7) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.046 CA :: 60.008 CB :: 71.882 CG2 :: 22.089 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.301 HA :: 4.557 HB :: 4.404 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.360 Ave N Shift Values>> N :: 115.7(5.05) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.3 K 0.08 D 0.07 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.582 CA :: 42.995 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.074 HA2 :: 4.054 HA3 :: 4.267 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.866 Ave N Shift Values>> N :: 109.91(4.29) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 HN Overlap>> 1.K118 1.K118 C Shift Assignments>> C :: 174.484 CA :: 50.919 CB :: 18.917 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.056 HA :: 4.878 HB1 :: 1.054 HB2 :: 1.054 HB3 :: 1.054 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.952 Ave N Shift Values>> N :: 123.23(3.7) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 I 0.14 C Shift Assignments>> C :: 174.171 CA :: 60.884 CB :: 35.663 CG1 :: 22.486 CG2 :: 19.558 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.884 HA :: 4.893 HB :: 1.708 HG11 :: 0.787 HG12 :: 0.787 HG13 :: 0.787 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.220 Ave N Shift Values>> N :: 121.02(4.96) 1.A86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.46 A 0.33 M 0.12 K 0.05 C Shift Assignments>> C :: 175.187 CA :: 50.886 CB :: 22.865 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.393 HA :: 4.710 HB1 :: -0.104(S) HB2 :: -0.104(S) HB3 :: -0.104(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.418 Ave N Shift Values>> N :: 123.23(3.7) 1.A87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.5 L 0.32 M 0.11 K 0.02 G 0.01 HN Overlap>> 1.T42 1.T42 C Shift Assignments>> C :: 175.327 CA :: 50.014 CB :: 22.604 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.724 HA :: 5.813(S) HB1 :: 1.255 HB2 :: 1.255 HB3 :: 1.255 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.003 Ave N Shift Values>> N :: 123.23(3.7) 1.F88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 F 0.38 G 0.05 C Shift Assignments>> C :: 171.482 CA :: 56.312 CB :: 42.006 CD1 :: 130.729 CD2 :: 130.729 CE1 :: 127.164 CE2 :: 127.164(S) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.380 HA :: 5.345 HB2 :: 2.882 HB3 :: 3.129 HD1 :: 7.019 HD2 :: 7.019 HE1 :: 7.250 HE2 :: 7.250 HZ :: 7.111 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.810 Ave N Shift Values>> N :: 120.69(4.18) 1.A89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.43 P 0.31 K 0.11 M 0.03 R 0.03 A 0.03 H 0.01 C Shift Assignments>> C :: 175.011 CA :: 50.695 CB :: 24.362 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.071 HA :: 5.979(S) HB1 :: 1.312 HB2 :: 1.312 HB3 :: 1.312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.353 Ave N Shift Values>> N :: 123.23(3.7) 1.Y90 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 Y 0.36 C Shift Assignments>> C :: 173.744 CA :: 58.151 CB :: 43.810 CD1 :: 131.073 CD2 :: 131.073 CE1 :: 114.868 CE2 :: 114.868(A) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.003 HA :: 4.580 HB2 :: 2.438 HB3 :: 2.571 HD1 :: 6.838 HD2 :: 6.838 HE1 :: 6.649 HE2 :: 6.649 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.587 Ave N Shift Values>> N :: 120.79(4.69) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 D 0.15 L 0.08 N 0.08 I 0.06 E 0.02 K 0.01 C Shift Assignments>> C :: 175.472 CA :: 56.606 CB :: 39.386 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.965 HA :: 4.960 HB2 :: 2.825 HB3 :: 3.132 HD1 :: 7.119 HD2 :: 7.119 HE1 :: 6.960 HE2 :: 6.960 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.407 Ave N Shift Values>> N :: 120.79(4.69) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.29 I 0.02 C Shift Assignments>> C :: 177.174 CA :: 56.078 CB :: 35.189 CG :: 31.652 CE :: 18.847 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.877 HA :: 4.862 HB2 :: 2.027 HB3 :: 2.378 HG2 :: 1.396 HG3 :: 2.251 HE1 :: 2.137 HE2 :: 2.137 HE3 :: 2.137 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.025 Ave N Shift Values>> N :: 120.1(3.88) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.417 CA :: 61.666 CB :: 62.858 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.151 HA :: 4.174 HB2 :: 3.986 HB3 :: 4.284 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.812 Ave N Shift Values>> N :: 116.3(3.95) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.976 CA :: 57.863 CB :: 63.723 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.096 HA :: 4.356 HB2 :: 3.925 HB3 :: 4.050 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.705 Ave N Shift Values>> N :: 116.3(3.95) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 R 0.04 C Shift Assignments>> C :: 172.406 CA :: 45.207 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.138 HA2 :: 3.602 HA3 :: 4.224 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.551 Ave N Shift Values>> N :: 109.91(4.29) 1.N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.18 K 0.07 R 0.04 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 173.290 CA :: 51.397 CB :: 41.749 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 6.432 HA :: 5.733 HB2 :: 1.755 HB3 :: 2.635 HD21 :: 6.518 HD22 :: 6.746 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.748 ND2 :: 113.919 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.587 CA :: 63.558 CB :: 72.475 CG2 :: 21.117 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.327 HA :: 5.019 HB :: 3.971 HG21 :: 1.349 HG22 :: 1.349 HG23 :: 1.349 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.808 Ave N Shift Values>> N :: 115.7(5.05) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 G 0.18 R 0.11 A 0.01 C Shift Assignments>> C :: 174.216 CA :: 54.088 CB :: 43.621 CG :: 26.822 CD1 :: 24.286 CD2 :: 26.016 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.538 HA :: 4.558 HB2 :: 1.094 HB3 :: 1.537 HG :: 1.116 HD11 :: 0.527 HD12 :: 0.527 HD13 :: 0.527 HD21 :: 0.045 HD22 :: 0.045 HD23 :: 0.045 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.070 Ave N Shift Values>> N :: 121.98(4.07) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 171.310 CA :: 45.054 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.637 HA2 :: 3.628 HA3 :: 5.127 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.390 Ave N Shift Values>> N :: 109.91(4.29) 1.V100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 173.462 CA :: 60.561 CB :: 34.535 CG1 :: 20.669 CG2 :: 22.353 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.518 HA :: 4.714 HB :: 0.360(S) HG11 :: 0.637 HG12 :: 0.637 HG13 :: 0.637 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.604 Ave N Shift Values>> N :: 121.02(4.96) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.42 C Shift Assignments>> C :: 174.604 CA :: 53.195 CB :: 35.257 CG :: 32.031 CE :: 16.561 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.879 HA :: 5.581 HB2 :: 1.753 HB3 :: 2.051 HG2 :: 2.631 HG3 :: 2.849 HE1 :: 1.724 HE2 :: 1.724 HE3 :: 1.724 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.589 Ave N Shift Values>> N :: 120.1(3.88) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 F 0.05 Y 0.01 C Shift Assignments>> C :: 174.646 CA :: 56.470 CB :: 43.845 CD1 :: 128.499 CD2 :: 128.499 CE1 :: 128.866 CE2 :: 128.866 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.338 HA :: 5.634 HB2 :: 3.077 HB3 :: 3.110 HD1 :: 7.012 HD2 :: 7.012 HE1 :: 7.240 HE2 :: 7.240 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.472 Ave N Shift Values>> N :: 120.69(4.18) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.002 CA :: 58.301 CB :: 64.108 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.050 HA :: 5.104 HB2 :: 4.046 HB3 :: 4.269 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.821 Ave N Shift Values>> N :: 116.3(3.95) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> CA :: 58.787 CB :: 33.387 CG1 :: 21.669 CG2 :: 21.669 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.705 HA :: 5.018 HB :: 2.335 HG11 :: 0.863 HG12 :: 0.863 HG13 :: 0.863 HG21 :: 1.217 HG22 :: 1.217 HG23 :: 1.217 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.873 Ave N Shift Values>> N :: 121.02(4.96) 1.P105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.854 CA :: 62.009 CB :: 32.680 CG :: 25.711 CD :: 50.333 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.528 HB2 :: 1.582 HB3 :: 2.003 HG2 :: 0.676(S) HG3 :: 1.205 HD2 :: 3.614 HD3 :: 4.264 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 F 0.27 Y 0.23 C Shift Assignments>> C :: 175.482 CA :: 61.395 CB :: 39.730 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.027 HA :: 4.076 HB2 :: 2.601 HB3 :: 2.769 HD1 :: 7.514 HD2 :: 7.514 HE1 :: 7.244 HE2 :: 7.244 HZ :: 7.237 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.764 Ave N Shift Values>> N :: 120.69(4.18) 1.D107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.14 K 0.1 N 0.06 F 0.04 G 0.03 Y 0.03 C Shift Assignments>> C :: 169.424(S) CA :: 52.865 CB :: 42.520 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.198 HA :: 4.599 HB2 :: 2.566 HB3 :: 2.927 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.718 Ave N Shift Values>> N :: 120.73(4.2) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.904 CA :: 60.494 CB :: 38.215 CD1 :: 129.901 CD2 :: 129.901 CE1 :: 115.193 CE2 :: 115.193 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.591 HA :: 4.708 HB2 :: 2.155 HB3 :: 2.575 HD1 :: 7.068 HD2 :: 7.068 HE1 :: 6.754 HE2 :: 6.754 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.142 Ave N Shift Values>> N :: 120.79(4.69) 1.N109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 E 0.2 N 0.17 F 0.16 D 0.06 I 0.05 M 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 176.275 CA :: 55.898 CB :: 37.621 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.839 HA :: 4.350 HB2 :: 2.175 HB3 :: 2.742 HD21 :: 6.878 HD22 :: 7.774 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.427 ND2 :: 114.322 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W110 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.73 H 0.26 C Shift Assignments>> C :: 175.114 CA :: 56.473 CB :: 30.724 CD1 :: 124.663 CE3 :: 118.508 CZ2 :: 110.803(A) CZ3 :: 118.744 CH2 :: 120.903 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.535 HA :: 4.891 HB2 :: 3.073 HB3 :: 3.586 HD1 :: 7.198 HE1 :: 10.103 HE3 :: 7.140 HZ2 :: 7.306 HZ3 :: 6.775 HH2 :: 7.016 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 115.666 NE1 :: 128.518 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.27 R 0.14 D 0.12 F 0.01 K 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 172.983 CA :: 52.067 CB :: 43.777 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.535 HA :: 5.367 HB2 :: 2.683 HB3 :: 2.693 HD21 :: 7.162 HD22 :: 7.851 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.830 ND2 :: 114.763 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 171.299 CA :: 57.049 CB :: 66.415 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.379 HA :: 4.863 HB2 :: 3.471 HB3 :: 3.590 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.770 Ave N Shift Values>> N :: 116.3(3.95) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 Y 0.12 F 0.09 L 0.03 E 0.03 M 0.01 HN Overlap>> 1.V33 1.V33 C Shift Assignments>> C :: 177.752 CA :: 53.734 CB :: 38.484 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.777 HA :: 5.826 HB2 :: 2.928 HB3 :: 3.373 HD21 :: 6.963 HD22 :: 7.724 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.250 ND2 :: 112.766 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.94 H 0.05 C Shift Assignments>> C :: 174.255 CA :: 57.012 CB :: 36.259 CD1 :: 126.829 CE3 :: 118.524 CZ2 :: 111.864 CZ3 :: 118.756 CH2 :: 121.955 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.070 HA :: 5.859 HB2 :: 2.909 HB3 :: 3.255 HD1 :: 7.507 HE1 :: 10.331 HE3 :: 7.666 HZ2 :: 7.461 HZ3 :: 7.132 HH2 :: 7.202 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.665 NE1 :: 128.851 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.W115 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 W 0.47 C Shift Assignments>> C :: 174.375 CA :: 56.483 CB :: 31.911 CD1 :: 125.196 CE3 :: 117.191 CZ2 :: 110.747(A) CZ3 :: 118.455 CH2 :: 120.058 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.618 HA :: 5.565 HB2 :: 3.673 HB3 :: 4.151 HD1 :: 6.625 HE1 :: 8.925 HE3 :: 7.294 HZ2 :: 7.057 HZ3 :: 7.076 HH2 :: 6.570 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.010 NE1 :: 128.371 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.23 D 0.17 K 0.09 G 0.05 F 0.04 Y 0.03 N 0.02 C Shift Assignments>> C :: 173.328 CA :: 53.952 CB :: 43.075 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.794 HA :: 4.642 HB2 :: 2.357 HB3 :: 2.804 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 111.461 Ave N Shift Values>> N :: 120.73(4.2) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 I 0.02 L 0.02 C Shift Assignments>> C :: 173.482 CA :: 60.457 CB :: 36.726 CG1 :: 22.575 CG2 :: 23.140 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.025 HA :: 5.267 HB :: 2.038 HG11 :: 1.056 HG12 :: 1.056 HG13 :: 1.056 HG21 :: 1.336 HG22 :: 1.336 HG23 :: 1.336 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.396 Ave N Shift Values>> N :: 121.02(4.96) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.91 K 0.05 G 0.02 HN Overlap>> 1.A84 1.A84 C Shift Assignments>> C :: 173.360 CA :: 56.005 CB :: 38.906 CG :: 26.041 CD :: 29.337 CE :: 42.091 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.098 HA :: 4.365 HB2 :: 1.361 HB3 :: 1.361 HG2 :: 0.811 HG3 :: 1.086 HD2 :: 1.407 HD3 :: 1.407 HE2 :: 2.561 HE3 :: 2.731 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.860 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 M 0.01 C Shift Assignments>> C :: 174.926 CA :: 59.521 CB :: 38.301 CG1 :: 28.806 CG2 :: 18.375 CD1 :: 15.185 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.466 HA :: 5.063 HB :: 1.554 HG12 :: 0.887 HG13 :: 1.505 HG21 :: 0.222 HG22 :: 0.222 HG23 :: 0.222 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.800 Ave N Shift Values>> N :: 121.6(4.72) 1.Y120 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 174.931 CA :: 56.609 CB :: 41.381 CD1 :: 130.543 CD2 :: 130.543 CE1 :: 114.897 CE2 :: 114.897(A) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.515 HA :: 4.544 HB2 :: 2.969 HB3 :: 2.957 HD1 :: 6.850 HD2 :: 6.850 HE1 :: 6.527 HE2 :: 6.527 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.616 Ave N Shift Values>> N :: 120.79(4.69) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.489 CA :: 58.394 CB :: 63.651 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.657 HA :: 4.661 HB2 :: 3.967 HB3 :: 3.967 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.533 Ave N Shift Values>> N :: 116.3(3.95) 1.G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 172.272 CA :: 45.379 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.500 HA2 :: 4.101 HA3 :: 4.095 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.138 Ave N Shift Values>> N :: 109.91(4.29) 1.K123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.79 R 0.16 M 0.04 C Shift Assignments>> C :: 174.786 CA :: 56.046 CB :: 32.727 CG :: 25.451 CD :: 28.765 CE :: 40.960 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.398 HA :: 3.897 HB2 :: 1.121 HB3 :: 1.654 HG2 :: 0.442(S) HG3 :: 0.807 HD2 :: 1.180 HD3 :: 1.262 HE2 :: 2.094(S) HE3 :: 2.284 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.654 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 K 0.35 G 0.05 HN Overlap>> 1.A81 1.A81 C Shift Assignments>> C :: 172.154 CA :: 53.676 CB :: 32.130 CG :: 26.545 CD :: 42.632 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.345 HA :: 4.417 HB2 :: 1.287 HB3 :: 1.287 HG2 :: 1.096 HG3 :: 1.248 HD2 :: 2.617 HD3 :: 2.800 HE :: 7.229 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 131.523 NE :: 84.079 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 K 0.28 G 0.09 C Shift Assignments>> C :: 176.304 CA :: 56.388 CB :: 30.793 CG :: 28.442 CD :: 43.293 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.890 HA :: 3.849 HB2 :: 1.487 HB3 :: 1.682 HG2 :: 1.391 HG3 :: 1.493 HD2 :: 3.058 HD3 :: 3.189 HE :: 7.326 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.478 NE :: 83.525 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 176.740 CA :: 52.574 CB :: 19.407 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.222 HA :: 4.376 HB1 :: 1.152 HB2 :: 1.152 HB3 :: 1.152 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.453 Ave N Shift Values>> N :: 123.23(3.7) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.26 L 0.16 K 0.05 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 174.238 CA :: 52.094 CB :: 40.958 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.948 HA :: 3.695 HB2 :: 2.724 HB3 :: 2.772 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.095 Ave N Shift Values>> N :: 120.73(4.2) 1.Q128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.27 R 0.19 E 0.06 P 0.06 I 0.04 M 0.02 C Shift Assignments>> C :: 177.050 CA :: 59.632 CB :: 27.799 CG :: 33.208 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.176 HA :: 3.681 HB2 :: 1.785 HB3 :: 2.077 HG2 :: 2.342 HG3 :: 2.445 HE21 :: 7.152 HE22 :: 8.204 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.024 NE2 :: 109.204 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 C Shift Assignments>> C :: 176.592 CA :: 46.971 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.921 HA2 :: 3.794 HA3 :: 3.816 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.101 Ave N Shift Values>> N :: 109.91(4.29) 1.M130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 I 0.16 C Shift Assignments>> C :: 177.642 CA :: 59.450 CB :: 34.826 CG :: 31.834 CE :: 16.395 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.174 HA :: 3.751 HB2 :: 1.638 HB3 :: 2.193 HG2 :: 2.185 HG3 :: 2.185 HE1 :: 1.390 HE2 :: 1.390 HE3 :: 1.390 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.439 Ave N Shift Values>> N :: 120.1(3.88) 1.Y131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.834 CA :: 62.391 CB :: 37.776 CD1 :: 130.045 CD2 :: 130.045 CE1 :: 115.454 CE2 :: 115.454 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.059 HA :: 3.844 HB2 :: 3.054 HB3 :: 3.187 HD1 :: 7.036 HD2 :: 7.036 HE1 :: 6.473 HE2 :: 6.473 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.018 Ave N Shift Values>> N :: 120.79(4.69) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 I 0.36 K 0.13 Q 0.06 M 0.01 C Shift Assignments>> C :: 178.306 CA :: 59.968 CB :: 28.825 CG :: 35.949 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.800 HA :: 3.442 HB2 :: 2.178 HB3 :: 2.180 HG2 :: 2.404 HG3 :: 2.905 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.385 Ave N Shift Values>> N :: 120.68(3.68) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.21 L 0.21 F 0.12 Y 0.09 D 0.06 I 0.01 G 0.01 C Shift Assignments>> C :: 178.138 CA :: 57.406 CB :: 42.511 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.977 HA :: 4.215 HB2 :: 2.838 HB3 :: 2.845 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.095 Ave N Shift Values>> N :: 120.73(4.2) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 R 0.32 G 0.13 K 0.01 HN Overlap>> 1.K75 1.K75 C Shift Assignments>> C :: 179.011 CA :: 56.426 CB :: 43.373 CG :: 27.037 CD1 :: 24.620 CD2 :: 27.156 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.660 HA :: 4.013 HB2 :: 1.073 HB3 :: 1.725 HG :: 2.128 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 HD21 :: 0.716 HD22 :: 0.716 HD23 :: 0.716 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.473 Ave N Shift Values>> N :: 121.98(4.07) 1.Y135 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.723 CA :: 61.989 CB :: 39.185 CD1 :: 129.438 CD2 :: 129.438 CE1 :: 114.972 CE2 :: 114.972(A) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.018 HA :: 3.503 HB2 :: 1.703 HB3 :: 2.126 HD1 :: 5.773 HD2 :: 5.773 HE1 :: 6.355 HE2 :: 6.355 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.960 Ave N Shift Values>> N :: 120.79(4.69) 1.Y136 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.9 H 0.08 W 0.01 C Shift Assignments>> C :: 175.691 CA :: 58.091 CB :: 36.208 CD1 :: 130.216 CD2 :: 130.216 CE1 :: 114.989 CE2 :: 114.989(A) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.922 HA :: 4.277 HB2 :: 2.833 HB3 :: 3.227 HD1 :: 7.301 HD2 :: 7.301 HE1 :: 6.762 HE2 :: 6.762 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 111.831 Ave N Shift Values>> N :: 120.79(4.69) 1.G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 172.538 CA :: 46.376 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.628 HA2 :: 3.440 HA3 :: 4.199 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.706 Ave N Shift Values>> N :: 109.91(4.29) 1.N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.17 Y 0.06 F 0.05 L 0.02 E 0.01 C Shift Assignments>> CA :: 52.182 CB :: 38.412 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.570 HA :: 4.650 HB2 :: 2.536 HB3 :: 2.631 HD21 :: 6.694 HD22 :: 7.434 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.287 ND2 :: 112.093 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.978 CA :: 62.932 CB :: 32.349 CG :: 25.870 CD :: 50.335 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.059 HB2 :: 1.745 HB3 :: 2.046 HG2 :: 2.261 HG3 :: 2.261 HD2 :: 2.811 HD3 :: 3.064 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Y140 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.753 CA :: 57.713 CB :: 39.403 CD1 :: 129.521 CD2 :: 129.521 CE1 :: 114.558 CE2 :: 114.558(A) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.276 HA :: 4.205 HB2 :: 2.148 HB3 :: 2.163 HD1 :: 5.886 HD2 :: 5.886 HE1 :: 6.444 HE2 :: 6.444 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.628 Ave N Shift Values>> N :: 120.79(4.69) 1.R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.42 G 0.07 C Shift Assignments>> C :: 178.953 CA :: 55.706 CB :: 32.221 CG :: 28.643 CD :: 43.148 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.687 HA :: 4.179 HB2 :: 1.460 HB3 :: 1.504 HG2 :: 0.801 HG3 :: 1.106 HD2 :: 2.875 HD3 :: 2.959 HE :: 7.122 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.786 NE :: 84.889 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 P 0.16 A 0.08 N 0.03 L 0.02 D 0.01 HN Overlap>> 1.S163 1.S163 C Shift Assignments>> C :: 173.016 CA :: 47.852 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.156 HA2 :: 3.234 HA3 :: 4.565 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.153 Ave N Shift Values>> N :: 109.91(4.29) 1.D143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.18 K 0.08 F 0.04 R 0.03 Y 0.03 C Shift Assignments>> C :: 177.694 CA :: 52.082 CB :: 41.512 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.134 HA :: 4.613 HB2 :: 2.294 HB3 :: 3.300 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.047 Ave N Shift Values>> N :: 120.73(4.2) 1.N144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.2 N 0.18 D 0.12 E 0.09 I 0.04 L 0.04 M 0.01 C Shift Assignments>> C :: 172.699 CA :: 55.836 CB :: 38.379 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.837 HA :: 3.898 HB2 :: 3.049 HB3 :: 3.378 HD21 :: 7.522 HD22 :: 7.357 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 110.780 ND2 :: 115.165 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.09 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 171.973 CA :: 43.431 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.287 HA2 :: 3.573 HA3 :: 4.655 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.637 Ave N Shift Values>> N :: 109.91(4.29) 1.W146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.63 H 0.36 C Shift Assignments>> C :: 177.563 CA :: 57.286 CB :: 30.046 CD1 :: 128.990 CE3 :: 117.681 CZ2 :: 112.198 CZ3 :: 118.855 CH2 :: 121.358 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.492 HA :: 4.962 HB2 :: 3.002 HB3 :: 3.002 HD1 :: 7.297 HE1 :: 10.045 HE3 :: 7.292 HZ2 :: 7.120 HZ3 :: 6.840 HH2 :: 6.813 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.344 NE1 :: 129.820 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.62 W 0.36 Y 0.01 C Shift Assignments>> C :: 172.946 CA :: 54.882 CB :: 32.068 CD2 :: 119.593 CE1 :: 133.998 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.996 HA :: 4.938 HB2 :: 2.292 HB3 :: 2.617 HD2 :: 7.833 HE1 :: 8.719 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.286 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E148 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.71 E 0.21 Q 0.06 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 175.391 CA :: 54.715 CB :: 33.822 CG :: 35.302 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.827 HA :: 5.831(S) HB2 :: 2.162 HB3 :: 2.223 HG2 :: 2.446 HG3 :: 2.446 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.504 Ave N Shift Values>> N :: 120.68(3.68) 1.K149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 R 0.43 M 0.05 G 0.03 C Shift Assignments>> C :: 174.774 CA :: 56.151 CB :: 36.697 CG :: 24.318 CD :: 29.775 CE :: 42.187 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.847 HA :: 4.776 HB2 :: 2.103 HB3 :: 2.103 HG2 :: 1.323 HG3 :: 1.498 HD2 :: 1.827 HD3 :: 1.858 HE2 :: 3.090 HE3 :: 3.090 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.573 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.18 Y 0.11 F 0.08 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 175.967 CA :: 53.543 CB :: 38.458 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.988 HA :: 4.871 HB2 :: 2.901 HB3 :: 3.083 HD21 :: 6.764 HD22 :: 7.995 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.003 ND2 :: 111.802 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.19 R 0.15 A 0.01 C Shift Assignments>> C :: 178.535 CA :: 55.119 CB :: 43.771 CG :: 26.784 CD1 :: 26.622 CD2 :: 23.719 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.741 HA :: 4.468 HB2 :: 1.671 HB3 :: 1.849 HG :: 1.657 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.808 Ave N Shift Values>> N :: 121.98(4.07) 1.G152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.24 R 0.21 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.873 CA :: 44.385 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.944 HA2 :: 3.746 HA3 :: 4.270 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.872 Ave N Shift Values>> N :: 109.91(4.29) 1.Y153 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 H 0.21 W 0.04 C Shift Assignments>> C :: 176.090 CA :: 59.462 CB :: 34.860 CD1 :: 130.688 CD2 :: 130.688 CE1 :: 126.117(S) CE2 :: 126.117 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.225 HA :: 3.937 HB2 :: 3.080 HB3 :: 3.126 HD1 :: 6.817 HD2 :: 6.817 HE1 :: 6.614 HE2 :: 6.614 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 109.975 Ave N Shift Values>> N :: 120.79(4.69) 1.G154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 174.864 CA :: 45.631 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.499 HA2 :: 3.724 HA3 :: 4.170 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.993 Ave N Shift Values>> N :: 109.91(4.29) 1.L155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.26 A 0.01 C Shift Assignments>> C :: 175.912 CA :: 53.662 CB :: 46.122 CG :: 26.746 CD1 :: 24.389 CD2 :: 26.722 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.883 HA :: 5.335 HB2 :: 1.978 HB3 :: 1.282 HG :: 1.746 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.898 HD22 :: 0.898 HD23 :: 0.898 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.916 Ave N Shift Values>> N :: 121.98(4.07) 1.R156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 K 0.29 G 0.23 C Shift Assignments>> C :: 173.557 CA :: 54.846 CB :: 33.877 CG :: 27.119 CD :: 43.469 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.428 HA :: 5.013 HB2 :: 1.817 HB3 :: 1.922 HG2 :: 1.572 HG3 :: 1.624 HD2 :: 3.174 HD3 :: 3.174 HE :: 7.288 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.084 NE :: 85.165 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.M157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 E 0.4 Q 0.03 K 0.01 C Shift Assignments>> C :: 174.972 CA :: 53.711 CB :: 36.319 CG :: 32.084 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.031 HA :: 5.719 HB2 :: 2.029 HB3 :: 2.288 HG2 :: 2.642 HG3 :: 2.715 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.774 Ave N Shift Values>> N :: 120.1(3.88) 1.K158 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.57 K 0.39 M 0.01 C Shift Assignments>> C :: 176.351 CA :: 56.417 CB :: 36.486 CG :: 26.037 CD :: 29.720 CE :: 41.616 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.739 HA :: 5.663 HB2 :: 1.954 HB3 :: 1.954 HG2 :: 1.556 HG3 :: 1.651 HD2 :: 1.453 HD3 :: 1.531 HE2 :: 2.252(S) HE3 :: 2.555 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.041 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G159 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.62 P 0.19 A 0.09 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 169.313 CA :: 47.898 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.719 HA2 :: 4.098 HA3 :: 5.584(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.689 Ave N Shift Values>> N :: 109.91(4.29) 1.I160 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.94 G 0.04 A 0.01 C Shift Assignments>> C :: 170.350 CA :: 58.660 CB :: 41.881 CG1 :: 28.833 CG2 :: 15.312 CD1 :: 13.471 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.157 HA :: 4.461 HB :: 0.070(S) HG12 :: 0.114 HG13 :: 1.038 HG21 :: -0.114 HG22 :: -0.114 HG23 :: -0.114 HD11 :: -0.147 HD12 :: -0.147 HD13 :: -0.147 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.489 Ave N Shift Values>> N :: 121.6(4.72) 1.M161 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 176.180 CA :: 53.682 CB :: 36.923 CG :: 32.236 CE :: 19.124 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.537 HA :: 5.296 HB2 :: 0.692(S) HB3 :: 1.453 HG2 :: 2.024 HG3 :: 3.582 HE1 :: 2.202 HE2 :: 2.202 HE3 :: 2.202 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.024 Ave N Shift Values>> N :: 120.1(3.88) 1.T162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.102 CA :: 61.424 CB :: 70.231 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.438 HA :: 4.792 HB :: 4.754 HG21 :: 1.246 HG22 :: 1.246 HG23 :: 1.246 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.923 Ave N Shift Values>> N :: 115.7(5.05) 1.S163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 HN Overlap>> 1.G142 1.G142 C Shift Assignments>> C :: 174.758 CA :: 59.376 CB :: 65.443 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.075 HA :: 4.557 HB2 :: 3.737 HB3 :: 4.150 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.138 Ave N Shift Values>> N :: 116.3(3.95) 1.A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.14 L 0.11 C Shift Assignments>> C :: 176.332 CA :: 51.168 CB :: 21.376 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.046 HA :: 4.282 HB1 :: 1.427 HB2 :: 1.427 HB3 :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.170 Ave N Shift Values>> N :: 123.23(3.7) 1.G165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> C :: 173.097 CA :: 47.063 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.165 HA2 :: 3.644 HA3 :: 4.764 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.228 Ave N Shift Values>> N :: 109.91(4.29) 1.E166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.33 E 0.15 R 0.07 M 0.02 I 0.01 C Shift Assignments>> C :: 174.716 CA :: 54.029 CB :: 27.700 CG :: 34.630 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.733 HA :: 4.737 HB2 :: 2.096 HB3 :: 1.708 HG2 :: 2.017 HG3 :: 2.412 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.936 Ave N Shift Values>> N :: 120.68(3.68) 1.A167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.19 L 0.12 C Shift Assignments>> C :: 175.143 CA :: 52.238 CB :: 21.166 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.567 HA :: 4.056 HB1 :: 1.344 HB2 :: 1.344 HB3 :: 1.344 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.627 Ave N Shift Values>> N :: 123.23(3.7) 1.K168 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.84 R 0.11 M 0.02 A 0.01 C Shift Assignments>> C :: 174.540 CA :: 54.728 CB :: 36.206 CG :: 24.756 CD :: 28.535 CE :: 40.742 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.837 HA :: 5.003 HB2 :: 0.961(S) HB3 :: 1.109 HG2 :: 1.445 HG3 :: 1.445 HD2 :: 0.689(S) HD3 :: 1.449 HE2 :: 2.187(S) HE3 :: 2.484 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.514 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 I 0.02 C Shift Assignments>> C :: 172.245 CA :: 54.380 CB :: 38.738 CG :: 31.610 CE :: 19.803 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.553 HA :: 5.290 HB2 :: 1.952 HB3 :: 1.532 HG2 :: 1.878 HG3 :: 1.878 HE1 :: 2.191 HE2 :: 2.191 HE3 :: 2.191 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.610 Ave N Shift Values>> N :: 120.1(3.88) 1.Q170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 Q 0.23 E 0.11 K 0.04 C Shift Assignments>> C :: 174.069 CA :: 54.253 CB :: 32.041 CG :: 33.969 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.619 HA :: 5.464 HB2 :: 1.865 HB3 :: 1.865 HG2 :: 2.088 HG3 :: 2.276 HE21 :: 6.203 HE22 :: 7.147 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.736 NE2 :: 105.928 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 G 0.42 A 0.02 HN Overlap>> 1.A8 1.A8 C Shift Assignments>> C :: 174.332 CA :: 59.563 CB :: 43.290 CG1 :: 27.874 CG2 :: 19.343 CD1 :: 14.179 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.758 HA :: 5.282 HB :: 1.916 HG12 :: 1.134 HG13 :: 1.427 HG21 :: 1.175 HG22 :: 1.175 HG23 :: 1.175 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.990 Ave N Shift Values>> N :: 121.6(4.72) 1.K172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.3 M 0.03 C Shift Assignments>> C :: 175.179 CA :: 56.009 CB :: 35.776 CG :: 25.050 CD :: 29.544 CE :: 41.499 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.933 HA :: 5.299 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 1.295 HG3 :: 1.476 HD2 :: 1.707 HD3 :: 1.707 HE2 :: 2.914 HE3 :: 2.914 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.969 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.09 C Shift Assignments>> C :: 174.429 CA :: 57.866 CB :: 37.386 CG1 :: 26.857 CG2 :: 18.086 CD1 :: 11.752 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.772 HA :: 5.306 HB :: 2.654 HG12 :: 1.725 HG13 :: 1.788 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.026 Ave N Shift Values>> N :: 121.6(4.72) 1.S174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.52 S 0.47 C Shift Assignments>> C :: 172.223 CA :: 57.042 CB :: 67.332 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.165 HA :: 4.939 HB2 :: 3.615 HB3 :: 4.055 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.965 Ave N Shift Values>> N :: 116.3(3.95) 1.R175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.21 G 0.15 C Shift Assignments>> CA :: 57.535 CB :: 31.496 CG :: 27.865 CD :: 43.648 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.739 HA :: 4.762 HB2 :: 1.993 HB3 :: 1.846 HG2 :: 1.757 HG3 :: 1.757 HD2 :: 3.279 HD3 :: 3.279 HE :: 7.158 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.957 NE :: 85.117 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 142 #Clerical: 0 #Suspicious: 25 #Anomalous: 8 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 175 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 175 #Suspicious: 0 C Shift Results: #Consistent: 737 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 8 H Shift Results: #Consistent:1196 #Duplicate: 0 #Unknown: 0 #Suspicious: 28 #Anomalous: 0 N Shift Results: #Consistent: 195 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L2 H = 11.219(S), Expected = 8.22, Std = 0.6500, ChiSquare = 3.9529e-06 1.K30 HD3 = 2.645(S), Expected = 1.61, Std = 0.2500, ChiSquare = 3.4731e-05 1.A32 CB = 25.464(S), Expected = 18.90, Std = 1.8500, ChiSquare = 3.8801e-04 1.G34 HA3 = 5.983(S), Expected = 3.93, Std = 0.4000, ChiSquare = 2.8592e-07 1.N37 HB2 = 0.406(S), Expected = 2.80, Std = 0.3400, ChiSquare = 1.9062e-12 1.N37 HD21 = 5.410(S), Expected = 7.27, Std = 0.5200, ChiSquare = 3.4766e-04 1.W43 CZ2 = 110.876(A), Expected = 114.19, Std = 1.0900, ChiSquare = 2.3629e-03 1.R51 HB2 = 0.866(S), Expected = 1.79, Std = 0.2800, ChiSquare = 9.6685e-04 1.L59 HD11 = -0.125(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1704e-04 1.L59 HD12 = -0.125(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1704e-04 1.L59 HD13 = -0.125(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1704e-04 1.F62 CE2 = 126.910(S), Expected = 130.60, Std = 0.9700, ChiSquare = 1.4231e-04 1.A68 HA = 5.842(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.6544e-04 1.S72 H = 6.054(S), Expected = 8.29, Std = 0.6200, ChiSquare = 3.1041e-04 1.A86 HB1 = -0.104(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.9206e-09 1.A86 HB2 = -0.104(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.9206e-09 1.A86 HB3 = -0.104(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.9206e-09 1.A87 HA = 5.813(S), Expected = 4.26, Std = 0.4200, ChiSquare = 2.1763e-04 1.F88 CE2 = 127.164(S), Expected = 130.60, Std = 0.9700, ChiSquare = 3.9670e-04 1.A89 HA = 5.979(S), Expected = 4.26, Std = 0.4200, ChiSquare = 4.2609e-05 1.Y90 CE2 = 114.868(A), Expected = 117.91, Std = 2.6000, ChiSquare = 2.4200e-01 1.V100 HB = 0.360(S), Expected = 1.99, Std = 0.3300, ChiSquare = 7.8366e-07 1.P105 HG2 = 0.676(S), Expected = 1.93, Std = 0.3600, ChiSquare = 4.9521e-04 1.D107 C = 169.424(S), Expected = 176.41, Std = 1.7700, ChiSquare = 7.9172e-05 1.W110 CZ2 = 110.803(A), Expected = 114.19, Std = 1.0900, ChiSquare = 1.8878e-03 1.W115 CZ2 = 110.747(A), Expected = 114.19, Std = 1.0900, ChiSquare = 1.5847e-03 1.Y120 CE2 = 114.897(A), Expected = 117.91, Std = 2.6000, ChiSquare = 2.4652e-01 1.K123 HG2 = 0.442(S), Expected = 1.38, Std = 0.2700, ChiSquare = 5.1262e-04 1.K123 HE2 = 2.094(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.9151e-05 1.Y135 CE2 = 114.972(A), Expected = 117.91, Std = 2.6000, ChiSquare = 2.5848e-01 1.Y136 CE2 = 114.989(A), Expected = 117.91, Std = 2.6000, ChiSquare = 2.6124e-01 1.Y140 CE2 = 114.558(A), Expected = 117.91, Std = 2.6000, ChiSquare = 1.9732e-01 1.E148 HA = 5.831(S), Expected = 4.26, Std = 0.4300, ChiSquare = 2.5870e-04 1.Y153 CE1 = 126.117(S), Expected = 117.81, Std = 2.0900, ChiSquare = 7.0485e-05 1.K158 HE2 = 2.252(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.9893e-04 1.G159 HA3 = 5.584(S), Expected = 3.93, Std = 0.4000, ChiSquare = 3.5495e-05 1.I160 HB = 0.070(S), Expected = 1.80, Std = 0.3100, ChiSquare = 2.3963e-08 1.M161 HB2 = 0.692(S), Expected = 2.03, Std = 0.3800, ChiSquare = 4.2984e-04 1.K168 HB2 = 0.961(S), Expected = 1.79, Std = 0.2500, ChiSquare = 9.1316e-04 1.K168 HD2 = 0.689(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.2960e-04 1.K168 HE2 = 2.187(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.0320e-04