Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.009 CA :: 45.374 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.960 HA3 :: 3.960 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.21 C Shift Assignments>> C :: 178.078 CA :: 52.677 CB :: 19.368 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.163 HA :: 4.381 HB1 :: 1.373 HB2 :: 1.373 HB3 :: 1.373 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.721 Ave N Shift Values>> N :: 123.23(3.7) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.597 CA :: 62.093 CB :: 69.948 CG2 :: 21.615 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 :: 8.142 HA :: 4.353 HB :: 4.177 HG21 :: 1.193 HG22 :: 1.193 HG23 :: 1.193 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 :: 113.761 Ave N Shift Values>> N :: 115.7(5.05) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 K 0.01 C Shift Assignments>> C :: 176.110 CA :: 61.099 CB :: 38.686 CG :: 27.382 CD1 :: 27.537 CD2 :: 27.537 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 :: 8.218 HA :: 4.169 HB2 :: 1.835 HB3 :: 1.835 HG :: 1.378 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 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 :: 123.516 Ave N Shift Values>> N :: 121.98(4.07) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.24 Q 0.23 R 0.17 E 0.17 M 0.07 K 0.04 L 0.02 I 0.01 HN Overlap>> 1.A83 1.A83 C Shift Assignments>> C :: 175.794 CA :: 55.652 CB :: 29.444 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 :: 8.496 HA :: 4.891 HB2 :: 2.073 HB3 :: 1.968 HE2 :: 3.111 HE3 :: 3.111 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 :: 125.141 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.29 K 0.28 R 0.12 H 0.11 E 0.07 Q 0.04 V 0.03 C Shift Assignments>> C :: 176.300 CA :: 56.286 CB :: 32.901 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>> HA :: 4.315 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) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.1 A 0.03 G 0.03 C Shift Assignments>> C :: 177.120 CA :: 55.142 CB :: 42.352 CG :: 26.887 CD1 :: 25.157 CD2 :: 23.263 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 :: 8.410 HA :: 4.348 HB2 :: 1.648 HB3 :: 1.582 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 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 :: 124.340 Ave N Shift Values>> N :: 121.98(4.07) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.25 K 0.18 F 0.11 N 0.08 R 0.05 C Shift Assignments>> C :: 176.769 CA :: 54.772 CB :: 41.322 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 :: 8.250 HA :: 4.540 HB2 :: 2.680 HB3 :: 2.680 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 :: 120.493 Ave N Shift Values>> N :: 120.73(4.2) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 174.122 CA :: 45.972 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.428 HA2 :: 4.089 HA3 :: 3.874 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.670 Ave N Shift Values>> N :: 109.91(4.29) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.807 CA :: 60.703 CB :: 38.509 CG1 :: 27.824 CG2 :: 17.916 CD1 :: 12.871 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 :: 7.727 HA :: 4.705 HB :: 1.772 HG12 :: 1.442 HG13 :: 0.955 HG21 :: 0.737 HG22 :: 0.737 HG23 :: 0.737 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 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 :: 120.267 Ave N Shift Values>> N :: 121.6(4.72) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 173.051 CA :: 55.353 CB :: 32.468 CD2 :: 120.676 CE1 :: 137.593 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 :: 9.101 HA :: 4.782 HB2 :: 2.907 HB3 :: 2.907 HD2 :: 6.992 HE1 :: 8.183 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 :: 125.061 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I44 1.I44 C Shift Assignments>> C :: 174.702 CA :: 62.035 CB :: 32.325 CG1 :: 20.956 CG2 :: 20.744 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 :: 8.427 HA :: 4.375 HB :: 1.891 HG11 :: 0.709 HG12 :: 0.709 HG13 :: 0.709 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 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 :: 127.069 Ave N Shift Values>> N :: 121.02(4.96) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.784 CA :: 62.512 CB :: 70.663 CG2 :: 21.072 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 :: 9.272 HA :: 4.512 HB :: 3.815 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 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 :: 126.619 Ave N Shift Values>> N :: 115.7(5.05) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.315 CA :: 60.157 CB :: 38.603 CG1 :: 28.108 CG2 :: 17.251 CD1 :: 13.408 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 :: 8.737 HA :: 4.870 HB :: 1.736 HG12 :: 1.480 HG13 :: 0.953 HG21 :: 0.534 HG22 :: 0.534 HG23 :: 0.534 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 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 :: 128.114 Ave N Shift Values>> N :: 121.6(4.72) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 G 0.36 A 0.06 R 0.05 C Shift Assignments>> C :: 175.565 CA :: 52.731 CB :: 43.947 CG :: 26.542 CD1 :: 23.295 CD2 :: 26.135 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 :: 8.902 HA :: 4.804 HB2 :: 1.557 HB3 :: 1.274 HG :: 1.478 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 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 :: 125.457 Ave N Shift Values>> N :: 121.98(4.07) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 174.258 CA :: 55.880 CB :: 30.901 CD2 :: 119.950 CE1 :: 137.573 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 :: 8.577 HA :: 5.013 HB2 :: 3.183 HB3 :: 3.044 HD2 :: 7.141 HE1 :: 8.006 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 :: 122.595 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.14 G 0.13 K 0.04 R 0.03 C Shift Assignments>> C :: 174.265 CA :: 54.314 CB :: 36.068 CG :: 21.351 CD :: 29.117 CE :: 42.795 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 :: 8.712 HA :: 4.880 HB2 :: 1.898 HB3 :: 1.625 HG2 :: 1.367 HG3 :: 0.978 HD2 :: 1.224 HD3 :: 1.224 HE2 :: 2.902 HE3 :: 2.663 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 :: 120.814 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.2 K 0.09 Q 0.05 I 0.04 C Shift Assignments>> C :: 177.843 CA :: 55.601 CB :: 30.512 CG :: 36.443 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 :: 8.360 HA :: 4.350 HB2 :: 2.110 HB3 :: 1.868 HG2 :: 2.420 HG3 :: 2.367 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 :: 117.859 Ave N Shift Values>> N :: 120.68(3.68) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.31 K 0.09 M 0.03 Q 0.01 C Shift Assignments>> C :: 177.809 CA :: 58.568 CB :: 29.313 CG :: 36.855 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 :: 9.146 HA :: 3.924 HB2 :: 2.022 HB3 :: 2.022 HG2 :: 2.473 HG3 :: 2.352 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 :: 124.543 Ave N Shift Values>> N :: 120.68(3.68) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.234 CA :: 46.113 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.242 HA2 :: 4.287 HA3 :: 3.407 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.394 Ave N Shift Values>> N :: 109.91(4.29) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 L 0.03 C Shift Assignments>> C :: 178.138 CA :: 52.273 CB :: 20.214 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.432 HA :: 4.402 HB1 :: 1.494 HB2 :: 1.494 HB3 :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.323 Ave N Shift Values>> N :: 123.23(3.7) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.17 F 0.02 D 0.01 C Shift Assignments>> C :: 174.069 CA :: 44.546 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.624 HA2 :: 4.134 HA3 :: 3.953 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.593 Ave N Shift Values>> N :: 109.91(4.29) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.2 G 0.01 A 0.01 K 0.01 C Shift Assignments>> C :: 177.548 CA :: 56.298 CB :: 41.940 CG :: 27.632 CD1 :: 25.487 CD2 :: 23.510 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 :: 7.934 HA :: 4.059 HB2 :: 1.502 HB3 :: 1.307 HG :: 1.644 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 HD21 :: 0.651 HD22 :: 0.651 HD23 :: 0.651 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 :: 115.495 Ave N Shift Values>> N :: 121.98(4.07) 1.G30 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 :: 175.296 CA :: 46.368 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.669 HA2 :: 4.264 HA3 :: 4.001 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.121 Ave N Shift Values>> N :: 109.91(4.29) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 171.141 CA :: 55.704 CB :: 40.745 CD1 :: 132.521 CD2 :: 132.521 CE1 :: 130.423 CE2 :: 130.423 CZ :: 127.852 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 :: 7.044 HA :: 4.541 HB2 :: 3.243 HB3 :: 2.786 HD1 :: 6.845 HD2 :: 6.845 HE1 :: 6.916 HE2 :: 6.916 HZ :: 6.800 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 :: 115.404 Ave N Shift Values>> N :: 120.69(4.18) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.68 T 0.31 C Shift Assignments>> C :: 175.049 CA :: 55.001 CB :: 67.170 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.752 HA :: 4.990 HB2 :: 4.474 HB3 :: 4.081 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 :: 113.639 Ave N Shift Values>> N :: 116.3(3.95) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.32 A 0.01 C Shift Assignments>> C :: 175.827 CA :: 53.620 CB :: 45.399 CG :: 26.299 CD1 :: 26.340 CD2 :: 24.131 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 :: 8.639 HA :: 5.573 HB2 :: 1.669 HB3 :: 1.406 HG :: 1.682 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 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 :: 118.936 Ave N Shift Values>> N :: 121.98(4.07) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.33 M 0.12 K 0.02 C Shift Assignments>> C :: 176.231 CA :: 50.425 CB :: 22.518 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.410 HA :: 4.749 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.395 Ave N Shift Values>> N :: 123.23(3.7) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.23 R 0.19 F 0.02 D 0.02 C Shift Assignments>> C :: 174.750 CA :: 44.494 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.130 HA2 :: 4.712 HA3 :: 3.955 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.650 Ave N Shift Values>> N :: 109.91(4.29) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.02 C Shift Assignments>> C :: 174.410 CA :: 45.462 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.217 HA2 :: 4.494 HA3 :: 3.836 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 122.114 Ave N Shift Values>> N :: 109.91(4.29) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.38 I 0.03 V 0.01 C Shift Assignments>> C :: 176.935 CA :: 55.308 CB :: 18.822 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.963 HA :: 3.998 HB1 :: 1.215 HB2 :: 1.215 HB3 :: 1.215 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.418 Ave N Shift Values>> N :: 123.23(3.7) 1.D38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.63 D 0.22 F 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 175.309 CA :: 52.730 CB :: 38.689 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 :: 10.586(S) HA :: 4.485 HB2 :: 2.895 HB3 :: 2.692 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 :: 111.480 Ave N Shift Values>> N :: 120.73(4.2) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.18 G 0.17 R 0.09 C Shift Assignments>> C :: 176.377 CA :: 52.952 CB :: 43.294 CG :: 26.832 CD1 :: 22.411 CD2 :: 25.902 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 :: 7.789 HA :: 4.699 HB2 :: 1.848 HB3 :: 1.617 HG :: 1.400 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 HD21 :: 0.509 HD22 :: 0.509 HD23 :: 0.509 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 :: 122.545 Ave N Shift Values>> N :: 121.98(4.07) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.28 K 0.1 M 0.04 Q 0.03 C Shift Assignments>> C :: 176.887 CA :: 59.066 CB :: 29.523 CG :: 36.443 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 :: 8.331 HA :: 3.978 HB2 :: 1.993 HB3 :: 1.993 HG2 :: 2.276 HG3 :: 2.276 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 :: 118.036 Ave N Shift Values>> N :: 120.68(3.68) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.09 F 0.04 E 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 52.316 CB :: 37.409 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 :: 7.890 HA :: 4.820 HB2 :: 2.822 HB3 :: 2.724 HD21 :: 7.685 HD22 :: 6.774 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 :: 115.196 ND2 :: 112.492 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.33 G 0.05 M 0.04 C Shift Assignments>> C :: 177.081 CA :: 56.567 CB :: 33.120 CG :: 24.818 CD :: 28.985 CE :: 42.930 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 :: 7.943 HA :: 4.328 HB2 :: 1.881 HB3 :: 1.720 HG2 :: 1.442 HG3 :: 1.396 HD2 :: 1.866 HD3 :: 1.668 HE2 :: 3.149 HE3 :: 3.055 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 :: 120.612 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.330 CB :: 32.819 CG1 :: 21.156 CG2 :: 20.932 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 :: 7.456 HA :: 4.059 HB :: 1.945 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 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 :: 118.284 Ave N Shift Values>> N :: 121.02(4.96) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 M 0.01 HN Overlap>> 1.V18 1.V18 C Shift Assignments>> C :: 176.719 CA :: 59.946 CB :: 35.784 CG1 :: 27.712 CG2 :: 19.968 CD1 :: 11.895 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 :: 8.481 HA :: 4.913 HB :: 2.072 HG12 :: 1.465 HG13 :: 1.465 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 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 :: 127.089 Ave N Shift Values>> N :: 121.6(4.72) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 A 0.14 C Shift Assignments>> CA :: 58.528 CB :: 73.760 CG2 :: 21.945 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 :: 8.906 HA :: 5.400 HB :: 3.693 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 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 :: 116.832 Ave N Shift Values>> N :: 115.7(5.05) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.648 CA :: 63.058 CB :: 31.601 CG1 :: 21.923 CG2 :: 21.195 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 :: 8.336 HA :: 4.059 HB :: 2.139 HG11 :: 0.507 HG12 :: 0.507 HG13 :: 0.507 HG21 :: 0.463 HG22 :: 0.463 HG23 :: 0.463 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 :: 118.542 Ave N Shift Values>> N :: 121.02(4.96) 1.H47 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.99 C Shift Assignments>> C :: 174.339 CA :: 57.764 CB :: 31.453 CD2 :: 118.892 CE1 :: 138.905 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 :: 9.382 HA :: 4.628 HB2 :: 3.245 HB3 :: 2.809 HD2 :: 7.049 HE1 :: 7.729 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 :: 133.900(A) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 K 0.35 G 0.22 C Shift Assignments>> C :: 173.877 CA :: 54.385 CB :: 33.996 CG :: 27.382 CD :: 43.363 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 :: 7.135 HA :: 4.360 HB2 :: 1.615 HB3 :: 1.546 HG2 :: 1.276 HG3 :: 1.160 HD2 :: 3.099 HD3 :: 3.099 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 :: 114.736 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.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.255 CA :: 61.882 CB :: 32.261 CG1 :: 21.698 CG2 :: 21.608 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 :: 8.690 HA :: 4.015 HB :: 1.917 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 0.622 HG22 :: 0.622 HG23 :: 0.622 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 :: 122.844 Ave N Shift Values>> N :: 121.02(4.96) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.847 CA :: 54.596 CB :: 36.558 CD1 :: 130.364 CD2 :: 130.364 CE1 :: 131.478 CE2 :: 131.478 CZ :: 129.760 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 :: 7.866 HA :: 4.866 HB2 :: 3.416 HB3 :: 2.786 HD1 :: 7.101 HD2 :: 7.101 HE1 :: 7.297 HE2 :: 7.297 HZ :: 7.186 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 :: 128.498 Ave N Shift Values>> N :: 120.69(4.18) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.321 CA :: 64.381 CB :: 31.773 CG :: 27.794 CD :: 51.052 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 :: 4.386 HB2 :: 2.363 HB3 :: 1.934 HG2 :: 2.178 HG3 :: 2.109 HD2 :: 4.135 HD3 :: 3.807 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.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.17 F 0.16 E 0.1 L 0.03 M 0.03 I 0.02 C Shift Assignments>> C :: 174.823 CA :: 54.719 CB :: 38.109 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 :: 8.814 HA :: 4.496 HB2 :: 3.015 HB3 :: 3.015 HD21 :: 7.609 HD22 :: 6.971 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 :: 116.145 ND2 :: 113.642 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 174.810 CA :: 44.987 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.730 HA2 :: 4.430 HA3 :: 4.089 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.196 Ave N Shift Values>> N :: 109.91(4.29) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.19 G 0.03 C Shift Assignments>> C :: 179.712 CA :: 58.310 CB :: 42.390 CG :: 26.966 CD1 :: 25.064 CD2 :: 25.837 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 :: 8.764 HA :: 4.041 HB2 :: 1.758 HB3 :: 1.527 HG :: 1.773 HD11 :: 0.981 HD12 :: 0.981 HD13 :: 0.981 HD21 :: 1.054 HD22 :: 1.054 HD23 :: 1.054 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 :: 118.836 Ave N Shift Values>> N :: 121.98(4.07) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.44 I 0.02 C Shift Assignments>> C :: 181.307 CA :: 54.825 CB :: 18.345 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.593 HA :: 4.275 HB1 :: 1.474 HB2 :: 1.474 HB3 :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.782 Ave N Shift Values>> N :: 123.23(3.7) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.392 CA :: 60.984 CB :: 62.987 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.339 HA :: 4.023 HB2 :: 4.024 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 :: 117.631 Ave N Shift Values>> N :: 116.3(3.95) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.19 R 0.06 M 0.03 I 0.03 C Shift Assignments>> C :: 177.400 CA :: 58.362 CB :: 28.801 CG :: 34.075 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 :: 7.942 HA :: 4.034 HB2 :: 2.164 HB3 :: 2.164 HG2 :: 2.506 HG3 :: 2.398 HE21 :: 7.269 HE22 :: 6.813 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 :: 118.162 NE2 :: 111.334 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.32 K 0.11 Q 0.04 M 0.02 C Shift Assignments>> C :: 179.248 CA :: 59.559 CB :: 29.317 CG :: 36.278 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 :: 7.683 HA :: 4.163 HB2 :: 2.137 HB3 :: 1.959 HG2 :: 2.478 HG3 :: 2.478 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 :: 119.877 Ave N Shift Values>> N :: 120.68(3.68) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.432 CA :: 46.817 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.446 HA2 :: 4.100 HA3 :: 3.770 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.653 Ave N Shift Values>> N :: 109.91(4.29) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.843 CA :: 64.792 CB :: 69.325 CG2 :: 21.615 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 :: 8.343 HA :: 4.037 HB :: 3.913 HG21 :: 1.020 HG22 :: 1.020 HG23 :: 1.020 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 :: 113.863 Ave N Shift Values>> N :: 115.7(5.05) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A96 1.A96 C Shift Assignments>> C :: 174.198 CA :: 62.938 CB :: 37.225 CG1 :: 28.298 CG2 :: 17.084 CD1 :: 13.838 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 :: 8.802 HA :: 3.631 HB :: 1.438 HG12 :: 1.618 HG13 :: 0.599 HG21 :: -0.030 HG22 :: -0.030 HG23 :: -0.030 HD11 :: 0.594 HD12 :: 0.594 HD13 :: 0.594 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 :: 126.153 Ave N Shift Values>> N :: 121.6(4.72) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 Q 0.19 E 0.05 K 0.03 C Shift Assignments>> C :: 174.556 CA :: 53.364 CB :: 32.196 CG :: 33.438 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 :: 7.124 HA :: 4.500 HB2 :: 1.970 HB3 :: 1.630 HG2 :: 2.146 HG3 :: 2.146 HE21 :: 7.162 HE22 :: 6.710 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 :: 123.730 NE2 :: 112.363 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.28 M 0.09 G 0.01 C Shift Assignments>> CA :: 57.905 CB :: 32.260 CG :: 24.040 CD :: 29.616 CE :: 42.093 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 :: 8.399 HA :: 3.464 HB2 :: 1.714 HB3 :: 1.603 HG2 :: 1.444 HG3 :: 1.233 HD2 :: 1.713 HD3 :: 1.650 HE2 :: 2.994 HE3 :: 2.994 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 :: 121.381 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.09 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.881 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.265 HA2 :: 4.415 HA3 :: 3.639 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.750 Ave N Shift Values>> N :: 109.91(4.29) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.17 F 0.07 E 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 175.042 CA :: 53.047 CB :: 38.153 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 :: 7.594 HA :: 4.798 HB2 :: 2.662 HB3 :: 2.568 HD21 :: 7.739 HD22 :: 7.256 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 :: 117.999 ND2 :: 110.866 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 M 0.27 Q 0.09 K 0.08 I 0.02 C Shift Assignments>> C :: 176.620 CA :: 55.863 CB :: 30.899 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 :: 8.538 HA :: 4.634 HB2 :: 1.908 HB3 :: 1.908 HG2 :: 2.458 HG3 :: 1.844 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 :: 122.233 Ave N Shift Values>> N :: 120.68(3.68) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L103 1.L103 C Shift Assignments>> C :: 174.641 CA :: 61.856 CB :: 31.066 CG1 :: 22.478 CG2 :: 22.230 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 :: 8.452 HA :: 4.172 HB :: 1.873 HG11 :: 0.733 HG12 :: 0.733 HG13 :: 0.733 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 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 :: 126.311 Ave N Shift Values>> N :: 121.02(4.96) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 L 0.45 K 0.05 G 0.02 C Shift Assignments>> C :: 178.924 CA :: 56.990 CB :: 42.392 CG :: 28.617 CD1 :: 26.064 CD2 :: 23.925 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 :: 9.000 HA :: 4.390 HB2 :: 1.527 HB3 :: 1.412 HG :: 1.458 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 HD21 :: 0.767 HD22 :: 0.767 HD23 :: 0.767 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 :: 127.175 Ave N Shift Values>> N :: 121.98(4.07) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.722 CA :: 57.606 CB :: 64.511 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.666 HA :: 5.144 HB2 :: 3.770 HB3 :: 3.275 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 :: 110.346 Ave N Shift Values>> N :: 116.3(3.95) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.993 CA :: 60.897 CB :: 41.186 CG1 :: 27.838 CG2 :: 16.590 CD1 :: 13.804 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 :: 7.965 HA :: 4.548 HB :: 1.550 HG12 :: 1.600 HG13 :: 0.969 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 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 :: 119.579 Ave N Shift Values>> N :: 121.6(4.72) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 E 0.26 M 0.18 K 0.07 F 0.05 Q 0.03 D 0.02 I 0.01 C Shift Assignments>> C :: 174.975 CA :: 54.085 CB :: 36.255 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 :: 9.839 HA :: 4.485 HB2 :: 3.124 HB3 :: 2.994 HD21 :: 7.893 HD22 :: 7.813 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 :: 126.963 ND2 :: 111.444 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 173.594 CA :: 45.162 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.911 HA2 :: 4.149 HA3 :: 3.507 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.020 Ave N Shift Values>> N :: 109.91(4.29) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.36 M 0.04 G 0.02 C Shift Assignments>> C :: 175.036 CA :: 54.719 CB :: 32.137 CG :: 24.812 CD :: 28.914 CE :: 42.457 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 :: 7.922 HA :: 4.485 HB2 :: 2.005 HB3 :: 1.813 HG2 :: 1.437 HG3 :: 1.437 HD2 :: 1.865 HD3 :: 1.715 HE2 :: 3.034 HE3 :: 3.034 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 :: 122.413 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N112 1.N112 C Shift Assignments>> C :: 175.965 CA :: 58.028 CB :: 63.799 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.585 HA :: 4.452 HB2 :: 4.026 HB3 :: 3.840 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 :: 118.737 Ave N Shift Values>> N :: 116.3(3.95) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.16 K 0.06 C Shift Assignments>> C :: 178.117 CA :: 53.980 CB :: 40.830 CG :: 28.782 CD1 :: 25.896 CD2 :: 24.797 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 :: 8.015 HA :: 4.661 HB2 :: 1.876 HB3 :: 1.693 HG :: 1.586 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 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 :: 125.425 Ave N Shift Values>> N :: 121.98(4.07) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.36 M 0.05 G 0.01 C Shift Assignments>> C :: 178.487 CA :: 58.010 CB :: 31.683 CG :: 24.388 CD :: 29.186 CE :: 42.105 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 :: 8.099 HA :: 4.210 HB2 :: 1.881 HB3 :: 1.776 HG2 :: 1.513 HG3 :: 1.418 HD2 :: 1.720 HD3 :: 1.720 HE2 :: 2.985 HE3 :: 2.985 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 :: 124.064 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.335 CA :: 46.232 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.859 HA2 :: 4.110 HA3 :: 3.869 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.659 Ave N Shift Values>> N :: 109.91(4.29) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.272 CA :: 61.794 CB :: 70.595 CG2 :: 22.620 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 :: 7.654 HA :: 4.624 HB :: 4.203 HG21 :: 1.298 HG22 :: 1.298 HG23 :: 1.298 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 :: 112.847 Ave N Shift Values>> N :: 115.7(5.05) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.503 CA :: 61.724 CB :: 71.007 CG2 :: 22.439 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 :: 8.813 HA :: 4.395 HB :: 4.630 HG21 :: 1.412 HG22 :: 1.412 HG23 :: 1.412 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 :: 114.123 Ave N Shift Values>> N :: 115.7(5.05) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 177.075 CA :: 61.338 CB :: 28.651 CD2 :: 124.643 CE1 :: 138.008 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 :: 10.266 HA :: 4.331 HB2 :: 3.427 HB3 :: 3.138 HD2 :: 7.001 HE1 :: 7.986 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 :: 122.776 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 178.269 CA :: 60.210 CB :: 29.569 CD2 :: 121.137 CE1 :: 137.578 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 :: 9.335 HA :: 4.078 HB2 :: 3.287 HB3 :: 3.069 HD2 :: 7.207 HE1 :: 8.108 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 :: 114.733 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 D 0.17 I 0.12 L 0.12 N 0.06 K 0.03 E 0.03 C Shift Assignments>> C :: 178.683 CA :: 57.148 CB :: 39.522 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 :: 7.741 HA :: 4.452 HB2 :: 2.857 HB3 :: 2.596 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 :: 121.407 Ave N Shift Values>> N :: 120.73(4.2) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.29 I 0.06 V 0.01 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 179.361 CA :: 55.635 CB :: 18.124 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.502 HA :: 3.939 HB1 :: 1.479 HB2 :: 1.479 HB3 :: 1.479 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.049 Ave N Shift Values>> N :: 123.23(3.7) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.06 C Shift Assignments>> C :: 180.173 CA :: 57.932 CB :: 41.157 CG :: 27.464 CD1 :: 24.627 CD2 :: 23.553 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 :: 8.100 HA :: 3.792 HB2 :: 1.703 HB3 :: 1.403 HG :: 1.482 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 HD21 :: 0.779 HD22 :: 0.779 HD23 :: 0.779 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 :: 117.139 Ave N Shift Values>> N :: 121.98(4.07) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.34 I 0.04 C Shift Assignments>> C :: 180.380 CA :: 55.212 CB :: 17.803 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.715 HA :: 4.061 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.448 Ave N Shift Values>> N :: 123.23(3.7) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.692 CA :: 65.226 CB :: 38.099 CG1 :: 29.937 CG2 :: 18.073 CD1 :: 13.999 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 :: 7.669 HA :: 3.678 HB :: 1.960 HG12 :: 1.850 HG13 :: 0.997 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 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 :: 121.804 Ave N Shift Values>> N :: 121.6(4.72) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.14 G 0.03 C Shift Assignments>> C :: 178.610 CA :: 58.221 CB :: 42.344 CG :: 26.514 CD1 :: 26.109 CD2 :: 24.110 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 :: 7.922 HA :: 3.903 HB2 :: 2.013 HB3 :: 1.283 HG :: 1.496 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 HD21 :: 0.477 HD22 :: 0.477 HD23 :: 0.477 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 :: 121.947 Ave N Shift Values>> N :: 121.98(4.07) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.14 K 0.13 C Shift Assignments>> C :: 180.698 CA :: 59.383 CB :: 30.055 CG :: 27.822 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 :: 8.317 HA :: 4.060 HB2 :: 1.949 HB3 :: 1.949 HG2 :: 1.729 HG3 :: 1.597 HD2 :: 3.219 HD3 :: 3.219 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 :: 119.343 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.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.3 E 0.22 I 0.08 R 0.06 M 0.01 HN Overlap>> 1.M108 1.M108 C Shift Assignments>> C :: 177.955 CA :: 58.714 CB :: 28.160 CG :: 34.479 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 :: 8.270 HA :: 4.122 HB2 :: 2.261 HB3 :: 2.185 HG2 :: 2.621 HG3 :: 2.526 HE21 :: 7.371 HE22 :: 6.804 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 :: 121.097 NE2 :: 110.938 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 C Shift Assignments>> C :: 178.076 CA :: 52.942 CB :: 18.015 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.558 HA :: 4.123 HB1 :: 1.515 HB2 :: 1.515 HB3 :: 1.515 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.652 Ave N Shift Values>> N :: 123.23(3.7) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 G 0.22 K 0.1 C Shift Assignments>> C :: 177.858 CA :: 58.573 CB :: 30.384 CG :: 28.150 CD :: 43.850 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 :: 7.768 HA :: 4.065 HB2 :: 1.791 HB3 :: 1.682 HG2 :: 1.518 HD2 :: 3.277 HD3 :: 3.191 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 :: 118.081 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.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 E 0.13 K 0.02 P 0.01 C Shift Assignments>> C :: 174.459 CA :: 61.565 CB :: 27.583 CG :: 36.505 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 :: 7.691 HA :: 4.123 HB2 :: 2.221 HB3 :: 2.126 HG2 :: 2.441 HG3 :: 2.273 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 :: 118.447 Ave N Shift Values>> N :: 120.68(3.68) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.221 CA :: 63.149 CB :: 32.571 CG :: 27.794 CD :: 49.953 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 :: 4.716 HB2 :: 2.532 HB3 :: 2.146 HG2 :: 1.996 HG3 :: 1.996 HD2 :: 3.846 HD3 :: 3.480 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.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.19 G 0.13 C Shift Assignments>> C :: 175.323 CA :: 56.972 CB :: 30.448 CG :: 28.288 CD :: 43.528 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 :: 8.434 HA :: 4.232 HB2 :: 2.264 HB3 :: 1.769 HG2 :: 1.827 HG3 :: 1.740 HD2 :: 3.341 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 :: 115.987 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.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 Q 0.19 E 0.14 K 0.02 C Shift Assignments>> C :: 174.786 CA :: 54.209 CB :: 32.384 CG :: 34.301 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 :: 7.246 HA :: 5.251 HB2 :: 1.927 HB3 :: 1.821 HG2 :: 2.000 HG3 :: 2.000 HE21 :: 7.238 HE22 :: 6.802 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 :: 115.998 NE2 :: 110.938 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 P 0.36 K 0.09 A 0.04 M 0.03 R 0.03 HN Overlap>> 1.I61 1.I61 C Shift Assignments>> C :: 175.258 CA :: 50.355 CB :: 24.270 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.739 HA :: 5.412 HB1 :: 1.303 HB2 :: 1.303 HB3 :: 1.303 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.197 Ave N Shift Values>> N :: 123.23(3.7) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E106 1.E106 C Shift Assignments>> C :: 175.982 CA :: 61.442 CB :: 33.413 CG1 :: 21.000 CG2 :: 20.617 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 :: 8.568 HA :: 4.804 HB :: 1.896 HG11 :: 0.721 HG12 :: 0.721 HG13 :: 0.721 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 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 :: 120.702 Ave N Shift Values>> N :: 121.02(4.96) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 174.292 CA :: 59.981 CB :: 40.608 CG1 :: 28.584 CG2 :: 19.598 CD1 :: 15.477 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 :: 9.753 HA :: 4.826 HB :: 1.881 HG12 :: 1.395 HG13 :: 1.310 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 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 :: 131.738 Ave N Shift Values>> N :: 121.6(4.72) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.557 CA :: 61.495 CB :: 32.327 CG1 :: 22.301 CG2 :: 21.427 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 :: 8.493 HA :: 5.201 HB :: 2.131 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 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 :: 129.537 Ave N Shift Values>> N :: 121.02(4.96) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 A 0.07 C Shift Assignments>> C :: 172.815 CA :: 59.049 CB :: 73.966 CG2 :: 22.051 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 :: 9.050 HA :: 5.606 HB :: 4.085 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 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 :: 117.469 Ave N Shift Values>> N :: 115.7(5.05) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 R 0.29 K 0.13 C Shift Assignments>> C :: 174.738 CA :: 54.825 CB :: 34.636 CG :: 26.909 CD :: 43.940 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 :: 8.773 HA :: 4.989 HB2 :: 1.771 HB3 :: 1.571 HG2 :: 1.530 HG3 :: 1.464 HD2 :: 3.168 HD3 :: 3.084 HE :: 7.274 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 :: 117.532 NE :: 83.412 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.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.29 M 0.05 G 0.01 C Shift Assignments>> C :: 175.935 CA :: 56.549 CB :: 33.266 CG :: 24.828 CD :: 29.359 CE :: 42.167 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 :: 8.616 HA :: 4.232 HB2 :: 1.799 HB3 :: 1.726 HG2 :: 1.441 HG3 :: 1.368 HD2 :: 1.647 HE2 :: 2.917 HE3 :: 2.917 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 :: 126.899 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.14 G 0.06 A 0.02 HN Overlap>> 1.V67 1.V67 C Shift Assignments>> C :: 176.956 CA :: 54.755 CB :: 42.929 CG :: 27.382 CD1 :: 25.075 CD2 :: 23.510 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 :: 8.424 HA :: 4.540 HB2 :: 1.720 HB3 :: 1.599 HG :: 1.697 HD11 :: 0.944 HD12 :: 0.944 HD13 :: 0.944 HD21 :: 0.897 HD22 :: 0.897 HD23 :: 0.897 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 :: 126.246 Ave N Shift Values>> N :: 121.98(4.07) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.954 CA :: 59.483 CB :: 69.761 CG2 :: 21.610 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 :: 8.201 HA :: 4.624 HB :: 4.206 HG21 :: 1.238 HG22 :: 1.238 HG23 :: 1.238 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 :: 117.263 Ave N Shift Values>> N :: 115.7(5.05) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.495 CB :: 32.096 CG :: 27.246 CD :: 51.028 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 :: 4.399 HB2 :: 2.298 HB3 :: 1.911 HG2 :: 2.042 HD2 :: 3.823 HD3 :: 3.736 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.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.14 K 0.13 Q 0.08 I 0.07 HN Overlap>> 1.V97 1.V97 C Shift Assignments>> C :: 176.110 CA :: 56.743 CB :: 30.137 CG :: 36.205 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 :: 8.519 HA :: 4.197 HB2 :: 1.974 HG2 :: 2.283 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 :: 120.609 Ave N Shift Values>> N :: 120.68(3.68) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.18 C Shift Assignments>> C :: 177.299 CA :: 52.203 CB :: 19.392 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.241 HA :: 4.317 HB1 :: 1.375 HB2 :: 1.375 HB3 :: 1.375 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.849 Ave N Shift Values>> N :: 123.23(3.7) 1.M108 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 I 0.01 HN Overlap>> 1.Q89 1.Q89 C Shift Assignments>> C :: 174.337 CA :: 53.258 CB :: 32.608 CG :: 38.102(A) CE :: 17.187 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 :: 8.284 HA :: 4.792 HB2 :: 2.099 HB3 :: 1.960 HG2 :: 2.671 HG3 :: 2.578 HE1 :: 2.114 HE2 :: 2.114 HE3 :: 2.114 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 :: 121.025 Ave N Shift Values>> N :: 120.1(3.88) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.412 CA :: 63.290 CB :: 32.077 CG :: 27.382 CD :: 50.695 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 :: 4.408 HB2 :: 2.275 HB3 :: 1.868 HG2 :: 2.000 HD2 :: 3.803 HD3 :: 3.693 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.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.14 K 0.13 F 0.09 R 0.03 C Shift Assignments>> C :: 176.508 CA :: 54.085 CB :: 41.075 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 :: 8.417 HA :: 4.573 HB2 :: 2.736 HB3 :: 2.593 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 :: 120.239 Ave N Shift Values>> N :: 120.73(4.2) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.12 G 0.02 A 0.02 C Shift Assignments>> C :: 177.551 CA :: 55.581 CB :: 42.360 CG :: 27.052 CD1 :: 25.109 CD2 :: 23.371 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 :: 8.279 HA :: 4.319 HB2 :: 1.642 HB3 :: 1.585 HG :: 1.627 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.839 HD22 :: 0.839 HD23 :: 0.839 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 :: 123.318 Ave N Shift Values>> N :: 121.98(4.07) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.29 F 0.11 L 0.07 E 0.01 HN Overlap>> 1.S74 1.S74 C Shift Assignments>> C :: 175.454 CA :: 53.610 CB :: 39.116 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 :: 8.487 HA :: 4.725 HB2 :: 2.860 HB3 :: 2.767 HD21 :: 7.622 HD22 :: 6.942 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 :: 118.752 ND2 :: 112.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.63 L 0.19 R 0.13 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.727 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.205 HA2 :: 4.126 HA3 :: 4.126 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.298 CB :: 32.077 CG :: 27.135 CD :: 49.840 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 :: 2.297 HB3 :: 1.978 HG2 :: 2.011 HG3 :: 2.011 HD2 :: 3.633 HD3 :: 3.633 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.S117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.532 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 :: 116.464 Ave N Shift Values>> N :: 116.3(3.95) 1.S118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 116 #Clerical: 0 #Suspicious: 1 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 108 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 119 #Suspicious: 0 C Shift Results: #Consistent: 455 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 746 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.D38 H = 10.586(S), Expected = 8.33, Std = 0.5700, ChiSquare = 7.5613e-05 1.H47 N = 133.900(A), Expected = 119.44, Std = 4.5200, ChiSquare = 1.3785e-03 1.M108 CG = 38.102(A), Expected = 32.07, Std = 1.4500, ChiSquare = 3.1825e-05