Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.21 K 0.21 L 0.18 F 0.15 Y 0.1 I 0.05 N 0.03 R 0.03 C Shift Assignments>> CA :: 41.373 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.758 HA3 :: 3.758 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 172.584 CA :: 56.296 CB :: 61.445 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.372 HB2 :: 3.801 HB3 :: 3.801 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) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.28 K 0.12 D 0.08 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 171.416 CA :: 42.734 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.290 HA2 :: 3.862 HA3 :: 3.862 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.305 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 P 0.29 K 0.22 R 0.11 E 0.03 M 0.02 C Shift Assignments>> C :: 172.375 CA :: 52.167 CB :: 27.324 CG :: 33.833 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 :: 8.129 HA :: 4.476 HB2 :: 1.773 HB3 :: 1.929 HG2 :: 2.145 HG3 :: 2.145 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 :: 121.275 Ave N Shift Values>> N :: 120.68(3.68) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.52 P 0.46 C Shift Assignments>> C :: 174.745 CA :: 61.020 CB :: 29.708 CG :: 25.144 CD :: 48.267 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 :: 4.281 HB2 :: 2.192 HB3 :: 1.788 HG2 :: 1.907 HG3 :: 1.907 HD2 :: 3.701 HD3 :: 3.586 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.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.33 E 0.1 R 0.1 M 0.03 C Shift Assignments>> C :: 174.329 CA :: 54.607 CB :: 27.830 CG :: 34.097 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 :: 8.484 HA :: 4.084 HB2 :: 1.843 HB3 :: 1.899 HG2 :: 2.141 HG3 :: 2.172 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 :: 120.732 Ave N Shift Values>> N :: 120.68(3.68) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 R 0.13 K 0.1 M 0.06 L 0.06 HN Overlap>> 1.A82 1.A82 C Shift Assignments>> C :: 174.174 CA :: 53.793 CB :: 30.549 CG :: 22.457 CD :: 26.759 CE :: 39.859 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 :: 8.229 HA :: 4.206 HB2 :: 1.711 HB3 :: 1.640 HG2 :: 1.329 HG3 :: 1.329 HD2 :: 1.568 HD3 :: 1.568 HE2 :: 2.878 HE3 :: 2.878 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 :: 122.191 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.12 C Shift Assignments>> C :: 175.698 CA :: 53.017 CB :: 40.065 CG :: 24.699 CD1 :: 22.571 CD2 :: 21.074 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 :: 8.161 HA :: 4.236 HB2 :: 1.484 HB3 :: 1.568 HG :: 1.524 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.764 HD22 :: 0.764 HD23 :: 0.764 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 :: 123.074 Ave N Shift Values>> N :: 121.98(4.07) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 K 0.07 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.915 CA :: 43.110 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.364 HA2 :: 3.823 HA3 :: 3.823 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.298 Ave N Shift Values>> N :: 109.91(4.29) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.29 Q 0.07 M 0.05 P 0.01 C Shift Assignments>> C :: 173.448 CA :: 53.633 CB :: 27.269 CG :: 31.457 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 :: 8.079 HA :: 4.197 HB2 :: 1.866 HB3 :: 1.981 HG2 :: 2.232 HG3 :: 2.232 HE21 :: 6.771 HE22 :: 7.472 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 :: 119.623 NE2 :: 112.170 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.18 HN Overlap>> 1.F26 1.F26 C Shift Assignments>> C :: 175.533 CA :: 50.414 CB :: 16.831 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.275 HA :: 4.177 HB1 :: 1.285 HB2 :: 1.285 HB3 :: 1.285 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.693 Ave N Shift Values>> N :: 123.23(3.7) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.11 C Shift Assignments>> C :: 175.394 CA :: 53.056 CB :: 39.859 CG :: 24.699 CD1 :: 22.577 CD2 :: 21.074 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 :: 8.184 HA :: 4.240 HB2 :: 1.569 HB3 :: 1.485 HG :: 1.527 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.765 HD22 :: 0.765 HD23 :: 0.765 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 :: 121.017 Ave N Shift Values>> N :: 121.98(4.07) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 S 0.24 A 0.01 C Shift Assignments>> C :: 172.350 CA :: 59.874 CB :: 67.372 CG2 :: 19.351 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 :: 7.905 HA :: 4.169 HB :: 4.112 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 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 :: 113.629 Ave N Shift Values>> N :: 115.7(5.05) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.34 R 0.11 E 0.09 M 0.03 C Shift Assignments>> C :: 174.024 CA :: 54.480 CB :: 27.823 CG :: 33.927 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 :: 8.192 HA :: 4.164 HB2 :: 1.816 HB3 :: 1.872 HG2 :: 2.077 HG3 :: 2.128 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 :: 122.679 Ave N Shift Values>> N :: 120.68(3.68) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 I 0.39 C Shift Assignments>> C :: 173.873 CA :: 60.606 CB :: 30.178 CG1 :: 18.646 CG2 :: 18.443 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 :: 7.911 HA :: 3.844 HB :: 1.854 HG11 :: 0.697 HG12 :: 0.697 HG13 :: 0.697 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 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 :: 120.455 Ave N Shift Values>> N :: 121.02(4.96) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.92 H 0.07 C Shift Assignments>> C :: 173.370 CA :: 55.590 CB :: 36.275 CD1 :: 130.814 CD2 :: 130.814 CE1 :: 115.917 CE2 :: 115.917 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 :: 8.041 HA :: 4.442 HB2 :: 2.813 HB3 :: 2.967 HD1 :: 7.002 HD2 :: 7.002 HE1 :: 6.695 HE2 :: 6.695 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 :: 122.870 Ave N Shift Values>> N :: 120.79(4.69) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.17 C Shift Assignments>> C :: 175.272 CA :: 50.267 CB :: 16.831 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.041 HA :: 4.146 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 :: 124.964 Ave N Shift Values>> N :: 123.23(3.7) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 R 0.13 K 0.12 M 0.08 L 0.07 C Shift Assignments>> C :: 174.355 CA :: 54.158 CB :: 30.554 CG :: 22.521 CD :: 26.759 CE :: 39.777 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 :: 8.022 HA :: 4.120 HB2 :: 1.641 HB3 :: 1.727 HG2 :: 1.359 HG3 :: 1.359 HD2 :: 1.571 HD3 :: 1.571 HE2 :: 2.882 HE3 :: 2.882 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 :: 120.111 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.17 C Shift Assignments>> C :: 175.245 CA :: 50.321 CB :: 16.831 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.158 HA :: 4.179 HB1 :: 1.288 HB2 :: 1.288 HB3 :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.336 Ave N Shift Values>> N :: 123.23(3.7) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 M 0.07 Y 0.04 E 0.03 D 0.03 F 0.02 P 0.02 K 0.01 C Shift Assignments>> C :: 172.836 CA :: 50.944 CB :: 36.563 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 :: 8.291 HA :: 4.648 HB2 :: 2.622 HB3 :: 2.738 HD21 :: 7.449 HD22 :: 6.790 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 :: 117.132 ND2 :: 112.589 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.090 CB :: 61.722 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.048 HA :: 4.409 HB2 :: 3.801 HB3 :: 3.801 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 :: 115.246 Ave N Shift Values>> N :: 116.3(3.95) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.A15 1.A15 C Shift Assignments>> C :: 172.508 CA :: 54.956 CB :: 39.035 CD1 :: 128.901 CD2 :: 128.901 CE1 :: 128.999 CE2 :: 128.999 CZ :: 127.542 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 :: 8.342 HA :: 4.735 HB2 :: 2.877 HB3 :: 2.877 HD1 :: 7.004 HD2 :: 7.004 HE1 :: 7.212 HE2 :: 7.212 HZ :: 7.179 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 :: 124.613 Ave N Shift Values>> N :: 120.69(4.18) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 A 0.14 S 0.01 C Shift Assignments>> C :: 168.693 CA :: 58.922 CB :: 69.422 CG2 :: 18.482 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 :: 8.613 HA :: 4.489 HB :: 3.689 HG21 :: 0.986 HG22 :: 0.986 HG23 :: 0.986 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 :: 119.371 Ave N Shift Values>> N :: 115.7(5.05) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 A 0.29 I 0.08 C Shift Assignments>> C :: 173.632 CA :: 58.234 CB :: 31.768 CG1 :: 18.550 CG2 :: 18.706 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 :: 7.743 HA :: 4.976 HB :: 1.830 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 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 :: 121.672 Ave N Shift Values>> N :: 121.02(4.96) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 P 0.08 C Shift Assignments>> C :: 170.636 CA :: 53.635 CB :: 63.258 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.270 HA :: 4.709 HB2 :: 3.376 HB3 :: 3.442 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 :: 121.600 Ave N Shift Values>> N :: 116.3(3.95) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S100 1.S100 C Shift Assignments>> C :: 170.584 CA :: 54.850 CB :: 63.559 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.241 HA :: 5.345 HB2 :: 3.477 HB3 :: 3.620 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 :: 115.567 Ave N Shift Values>> N :: 116.3(3.95) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 A 0.21 C Shift Assignments>> C :: 172.298 CA :: 58.164 CB :: 33.214 CG1 :: 18.817 CG2 :: 19.418 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 :: 8.940 HA :: 4.088 HB :: 1.607 HG11 :: 0.758 HG12 :: 0.758 HG13 :: 0.758 HG21 :: 0.713 HG22 :: 0.713 HG23 :: 0.713 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 :: 121.803 Ave N Shift Values>> N :: 121.02(4.96) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 174.178 CA :: 50.394 CB :: 16.192 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.485 HA :: 4.280 HB1 :: 1.278 HB2 :: 1.278 HB3 :: 1.278 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.848 Ave N Shift Values>> N :: 123.23(3.7) 1.A33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.97 A 0.02 C Shift Assignments>> C :: 169.801(S) CA :: 46.778 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 :: 7.720 HA :: 4.474 HB1 :: 0.854 HB2 :: 0.854 HB3 :: 0.854 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.474 Ave N Shift Values>> N :: 123.23(3.7) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.81 P 0.17 C Shift Assignments>> CA :: 60.354 CB :: 30.101 CG :: 25.143 CD :: 47.929 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 :: 4.080 HB2 :: 2.190 HB3 :: 1.110 HG2 :: 1.902 HG3 :: 1.633 HD2 :: 3.589 HD3 :: 3.074 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.S35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.722 CA :: 59.105 CB :: 60.426 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.788 HA :: 2.671(S) HB2 :: 3.671 HB3 :: 3.791 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 :: 118.493 Ave N Shift Values>> N :: 116.3(3.95) 1.W36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.96 H 0.01 A 0.01 C Shift Assignments>> C :: 174.461 CA :: 55.803 CB :: 25.171 CD1 :: 125.663 CE3 :: 118.670 CZ2 :: 112.230 CZ3 :: 119.846 CH2 :: 122.532 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 :: 7.617 HA :: 4.397 HB2 :: 3.563 HB3 :: 3.138 HD1 :: 7.402 HE1 :: 10.413 HE3 :: 7.437 HZ2 :: 7.344 HZ3 :: 6.807 HH2 :: 7.004 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 :: 118.948 NE1 :: 130.267 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 A 0.45 C Shift Assignments>> C :: 176.558 CA :: 52.257 CB :: 39.719 CG :: 23.882 CD1 :: 23.309 CD2 :: 23.930 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 :: 7.264 HA :: 4.291 HB2 :: 1.120 HB3 :: 0.835 HG :: 0.811 HD11 :: 0.487 HD12 :: 0.487 HD13 :: 0.487 HD21 :: 0.362 HD22 :: 0.362 HD23 :: 0.362 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 :: 116.894 Ave N Shift Values>> N :: 121.98(4.07) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.72 H 0.27 C Shift Assignments>> C :: 175.183 CA :: 58.305 CB :: 28.542 CD2 :: 113.779 CE1 :: 136.406 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 :: 7.728 HA :: 3.814 HB2 :: 3.020 HB3 :: 2.800 HD2 :: 6.070 HE1 :: 7.759 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 :: 121.154 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.74 K 0.23 A 0.01 C Shift Assignments>> C :: 175.654 CA :: 56.007 CB :: 26.388 CG :: 23.471 CD :: 41.012 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 :: 8.496 HA :: 3.866 HB2 :: 1.566 HB3 :: 1.486 HG2 :: 1.186 HG3 :: 0.638(S) HD2 :: 2.876 HD3 :: 2.876 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 :: 114.339 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.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.721 CA :: 57.117 CB :: 37.335 CD1 :: 129.149 CD2 :: 129.149 CE1 :: 129.433 CE2 :: 129.433 CZ :: 128.063 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 :: 7.294 HA :: 4.372 HB2 :: 3.196 HB3 :: 2.935 HD1 :: 7.259 HD2 :: 7.259 HE1 :: 7.457 HE2 :: 7.457 HZ :: 7.373 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 :: 118.848 Ave N Shift Values>> N :: 120.69(4.18) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.890 CA :: 61.267 CB :: 35.648 CG1 :: 25.906 CG2 :: 14.907 CD1 :: 11.135 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 :: 7.627 HA :: 3.705 HB :: 1.866 HG12 :: 1.039 HG13 :: 1.458 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 HD11 :: 0.567 HD12 :: 0.567 HD13 :: 0.567 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 :: 118.706 Ave N Shift Values>> N :: 121.6(4.72) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.718 CA :: 61.549 CB :: 36.536 CG1 :: 26.388 CG2 :: 15.321 CD1 :: 10.383 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 :: 7.651 HA :: 3.648 HB :: 1.419 HG12 :: 1.055 HG13 :: 0.587 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 HD11 :: 0.248 HD12 :: 0.248 HD13 :: 0.248 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 :: 116.765 Ave N Shift Values>> N :: 121.6(4.72) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.22 R 0.13 D 0.12 F 0.09 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 172.059 CA :: 42.194 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.386 HA2 :: 3.826 HA3 :: 3.914 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.629 Ave N Shift Values>> N :: 109.91(4.29) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.35 L 0.22 R 0.17 K 0.14 M 0.09 C Shift Assignments>> CA :: 55.561 CB :: 29.964 CG :: 22.500 CD :: 27.000 CE :: 39.667 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>> HA :: 4.083 HB2 :: 1.725 HB3 :: 1.725 HG2 :: 1.417 HG3 :: 1.316 HD2 :: 1.598 HD3 :: 1.598 HE2 :: 2.895 HE3 :: 2.895 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) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.55 A 0.34 R 0.05 K 0.02 C Shift Assignments>> C :: 174.545 CA :: 53.898 CB :: 29.011 CG :: 22.722 CD :: 26.594 CE :: 39.777 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>> HA :: 4.118 HB2 :: 1.727 HB3 :: 1.948 HG2 :: 1.321 HG3 :: 1.321 HD2 :: 1.555 HD3 :: 1.587 HE2 :: 2.878 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) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.29 G 0.23 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 174.414 CA :: 43.909 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.826 HA2 :: 3.923 HA3 :: 3.636 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.630 Ave N Shift Values>> N :: 109.91(4.29) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.34 Q 0.05 M 0.03 C Shift Assignments>> C :: 174.860 CA :: 55.596 CB :: 26.429 CG :: 31.417 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 :: 4.087 HB2 :: 2.022 HB3 :: 1.606 HG2 :: 2.331 HG3 :: 2.331 HE21 :: 7.410 HE22 :: 6.820 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>> NE2 :: 111.464 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 M 0.24 E 0.15 K 0.09 Q 0.07 Y 0.05 F 0.02 H 0.01 W 0.01 C Shift Assignments>> C :: 174.678 CA :: 52.894 CB :: 35.590 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 :: 7.969 HA :: 4.532 HB2 :: 2.724 HB3 :: 2.724 HD21 :: 6.859 HD22 :: 7.465 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 :: 118.389 ND2 :: 112.276 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 L 0.41 C Shift Assignments>> C :: 175.995 CA :: 54.662 CB :: 39.615 CG :: 24.620 CD1 :: 22.241 CD2 :: 22.119 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 :: 7.898 HA :: 4.026 HB2 :: 1.665 HB3 :: 1.540 HG :: 1.633 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 HD21 :: 0.801 HD22 :: 0.801 HD23 :: 0.801 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 :: 119.757 Ave N Shift Values>> N :: 121.98(4.07) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.44 C Shift Assignments>> C :: 177.173 CA :: 52.401 CB :: 15.658 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.863 HA :: 4.066 HB1 :: 1.346 HB2 :: 1.346 HB3 :: 1.346 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.704 Ave N Shift Values>> N :: 123.23(3.7) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.22 K 0.2 A 0.12 M 0.07 V 0.01 C Shift Assignments>> C :: 176.717 CA :: 56.807 CB :: 29.849 CG :: 22.792 CD :: 26.759 CE :: 39.694 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 :: 7.506 HA :: 3.963 HB2 :: 1.827 HB3 :: 1.827 HG2 :: 1.349 HG3 :: 1.496 HD2 :: 1.603 HD3 :: 1.603 HE2 :: 2.878 HE3 :: 2.878 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 :: 116.689 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.499 CA :: 62.430 CB :: 35.699 CG1 :: 26.186 CG2 :: 14.592 CD1 :: 11.219 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 :: 7.541 HA :: 3.717 HB :: 1.873 HG12 :: 1.599 HG13 :: 1.010 HG21 :: 0.725 HG22 :: 0.725 HG23 :: 0.725 HD11 :: 0.672 HD12 :: 0.672 HD13 :: 0.672 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 :: 118.819 Ave N Shift Values>> N :: 121.6(4.72) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 S 0.19 C Shift Assignments>> C :: 174.492 CA :: 62.520 CB :: 66.511 CG2 :: 19.594 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 :: 7.965 HA :: 3.907 HB :: 4.228 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 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 :: 111.604 Ave N Shift Values>> N :: 115.7(5.05) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.38 Q 0.09 M 0.03 C Shift Assignments>> C :: 175.296 CA :: 55.943 CB :: 26.306 CG :: 31.785 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 :: 7.717 HA :: 3.969 HB2 :: 2.087 HB3 :: 2.021 HG2 :: 2.313 HG3 :: 2.412 HE21 :: 6.715 HE22 :: 7.368 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 :: 119.090 NE2 :: 111.131 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.32 Q 0.14 M 0.04 C Shift Assignments>> C :: 173.880 CA :: 54.727 CB :: 27.216 CG :: 31.867 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 :: 7.483 HA :: 4.117 HB2 :: 2.100 HB3 :: 2.100 HG2 :: 2.455 HG3 :: 2.329 HE21 :: 6.765 HE22 :: 7.380 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 :: 115.825 NE2 :: 110.879 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.44 C Shift Assignments>> C :: 170.991 CA :: 50.833 CB :: 30.384 CG :: 29.687 CE :: 15.066 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 :: 7.766 HA :: 4.860 HB2 :: 1.919 HB3 :: 1.786 HG2 :: 2.299 HG3 :: 2.387 HE1 :: 1.917 HE2 :: 1.917 HE3 :: 1.917 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 :: 116.980 Ave N Shift Values>> N :: 120.1(3.88) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.59 P 0.39 C Shift Assignments>> C :: 176.042 CA :: 62.198 CB :: 29.972 CG :: 24.946 CD :: 48.016 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 :: 4.522 HB2 :: 2.291 HB3 :: 1.875 HG2 :: 1.926 HG3 :: 1.763 HD2 :: 3.523 HD3 :: 3.237 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.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.25 A 0.2 R 0.18 M 0.03 C Shift Assignments>> C :: 173.387 CA :: 54.004 CB :: 29.939 CG :: 23.436 CD :: 26.759 CE :: 39.947 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 :: 8.436 HA :: 4.246 HB2 :: 1.886 HB3 :: 1.630 HG2 :: 1.292 HG3 :: 1.397 HD2 :: 1.619 HD3 :: 1.619 HE2 :: 2.916 HE3 :: 2.916 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 :: 116.193 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 A 0.04 C Shift Assignments>> C :: 171.996 CA :: 59.063 CB :: 30.243 CG1 :: 19.344 CG2 :: 21.391 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 :: 7.530 HA :: 4.394 HB :: 1.948 HG11 :: 0.557 HG12 :: 0.557 HG13 :: 0.557 HG21 :: 0.638 HG22 :: 0.638 HG23 :: 0.638 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 :: 118.127 Ave N Shift Values>> N :: 121.02(4.96) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.88 W 0.11 C Shift Assignments>> C :: 171.740 CA :: 52.546 CB :: 28.489 CD2 :: 117.368 CE1 :: 134.841 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 :: 9.135 HA :: 4.788 HB2 :: 3.023 HB3 :: 3.082 HD2 :: 7.019 HE1 :: 8.176 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 :: 126.730 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 171.834 CA :: 57.915 CB :: 37.238 CG1 :: 25.328 CG2 :: 15.231 CD1 :: 11.549 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 :: 8.246 HA :: 4.617 HB :: 1.410 HG12 :: 1.341 HG13 :: 0.531 HG21 :: 0.329 HG22 :: 0.329 HG23 :: 0.329 HD11 :: 0.566 HD12 :: 0.566 HD13 :: 0.566 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 :: 127.476 Ave N Shift Values>> N :: 121.6(4.72) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 Q 0.28 K 0.12 E 0.06 R 0.01 C Shift Assignments>> C :: 171.733 CA :: 52.410 CB :: 30.960 CG :: 33.574 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 :: 8.584 HA :: 4.528 HB2 :: 1.843 HB3 :: 1.645 HG2 :: 2.021 HG3 :: 2.021 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 :: 126.080 Ave N Shift Values>> N :: 120.68(3.68) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.9 Y 0.04 H 0.04 C Shift Assignments>> C :: 172.657 CA :: 53.916 CB :: 37.308 CD1 :: 129.298 CD2 :: 129.298 CE1 :: 128.225 CE2 :: 128.225 CZ :: 126.123 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 :: 8.812 HA :: 4.605 HB2 :: 2.970 HB3 :: 2.771 HD1 :: 6.771 HD2 :: 6.771 HE1 :: 6.788 HE2 :: 6.788 HZ :: 6.700 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 :: 124.776 Ave N Shift Values>> N :: 120.69(4.18) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 S 0.28 A 0.01 C Shift Assignments>> C :: 172.051 CA :: 59.714 CB :: 67.089 CG2 :: 19.954 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 :: 8.800 HA :: 4.267 HB :: 3.836 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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 :: 121.781 Ave N Shift Values>> N :: 115.7(5.05) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.3 R 0.19 E 0.07 M 0.02 I 0.01 C Shift Assignments>> C :: 175.485 CA :: 56.446 CB :: 27.088 CG :: 33.680 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 :: 8.772 HA :: 3.712 HB2 :: 1.823 HB3 :: 1.823 HG2 :: 2.067 HG3 :: 2.067 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 :: 128.428 Ave N Shift Values>> N :: 120.68(3.68) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 K 0.06 G 0.06 D 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.812 CA :: 43.229 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.888 HA2 :: 4.059 HA3 :: 3.680 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.186 Ave N Shift Values>> N :: 109.91(4.29) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.28 M 0.14 E 0.13 R 0.03 C Shift Assignments>> C :: 173.185 CA :: 52.911 CB :: 29.478 CG :: 34.256 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 :: 7.479 HA :: 4.514 HB2 :: 2.146 HB3 :: 1.793 HG2 :: 2.069 HG3 :: 2.126 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 :: 117.404 Ave N Shift Values>> N :: 120.68(3.68) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.1 Y 0.06 F 0.04 E 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 174.465 CA :: 52.048 CB :: 37.703 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 :: 8.184 HA :: 4.813 HB2 :: 2.648 HB3 :: 2.648 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 :: 119.070 Ave N Shift Values>> N :: 120.73(4.2) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.05 K 0.03 C Shift Assignments>> C :: 171.195 CA :: 53.123 CB :: 34.050 CG :: 21.815 CD :: 27.137 CE :: 39.643 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 :: 7.464 HA :: 5.011 HB2 :: 1.588 HB3 :: 1.416 HG2 :: 1.123 HG3 :: 1.123 HD2 :: 1.468 HD3 :: 1.403 HE2 :: 2.745 HE3 :: 2.745 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 :: 115.401 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 173.065 CA :: 57.713 CB :: 38.584 CG1 :: 24.573 CG2 :: 14.712 CD1 :: 12.455 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 :: 8.623 HA :: 4.198 HB :: 1.125 HG12 :: -0.007 HG13 :: 0.912 HG21 :: 0.149 HG22 :: 0.149 HG23 :: 0.149 HD11 :: 0.161 HD12 :: 0.161 HD13 :: 0.161 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 :: 123.018 Ave N Shift Values>> N :: 121.6(4.72) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 S 0.07 A 0.02 C Shift Assignments>> C :: 170.512 CA :: 59.556 CB :: 67.993 CG2 :: 19.538 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 :: 8.814 HA :: 4.735 HB :: 3.861 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 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 :: 121.110 Ave N Shift Values>> N :: 115.7(5.05) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 G 0.37 A 0.04 C Shift Assignments>> C :: 172.287 CA :: 51.678 CB :: 43.741 CG :: 25.681 CD1 :: 23.626 CD2 :: 24.650 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 :: 8.713 HA :: 5.095 HB2 :: 1.422 HB3 :: 1.045 HG :: 1.333 HD11 :: 0.551 HD12 :: 0.551 HD13 :: 0.551 HD21 :: 0.522 HD22 :: 0.522 HD23 :: 0.522 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 :: 124.155 Ave N Shift Values>> N :: 121.98(4.07) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 Q 0.21 E 0.07 K 0.05 C Shift Assignments>> C :: 172.831 CA :: 51.727 CB :: 31.512 CG :: 34.092 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 :: 8.398 HA :: 5.383 HB2 :: 1.946 HB3 :: 1.998 HG2 :: 2.177 HG3 :: 2.177 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 :: 118.689 Ave N Shift Values>> N :: 120.68(3.68) 1.G74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 K 0.07 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 166.281(S) CA :: 43.076 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.979 HA2 :: 3.761 HA3 :: 4.195 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.796 Ave N Shift Values>> N :: 109.91(4.29) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.74 P 0.24 C Shift Assignments>> C :: 175.974 CA :: 60.377 CB :: 29.797 CG :: 25.935 CD :: 47.879 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 :: 4.475 HB2 :: 2.357 HB3 :: 1.848 HG2 :: 1.878 HG3 :: 2.083 HD2 :: 3.107 HD3 :: 3.506 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.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 173.389 CA :: 65.067 CB :: 67.003 CG2 :: 19.203 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 :: 8.349 HA :: 3.446 HB :: 3.844 HG21 :: 1.062 HG22 :: 1.062 HG23 :: 1.062 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 :: 121.692 Ave N Shift Values>> N :: 115.7(5.05) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 Q 0.3 R 0.18 E 0.05 M 0.03 I 0.02 C Shift Assignments>> C :: 175.678 CA :: 57.195 CB :: 26.270 CG :: 33.762 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 :: 9.392 HA :: 3.965 HB2 :: 1.874 HB3 :: 1.874 HG2 :: 2.194 HG3 :: 2.194 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 :: 119.685 Ave N Shift Values>> N :: 120.68(3.68) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.25 Y 0.14 F 0.12 L 0.06 E 0.01 I 0.01 C Shift Assignments>> C :: 175.654 CA :: 54.177 CB :: 39.087 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 :: 7.038 HA :: 4.358 HB2 :: 2.486 HB3 :: 2.248 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 :: 118.858 Ave N Shift Values>> N :: 120.73(4.2) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.680 CA :: 65.010 CB :: 28.972 CG1 :: 19.426 CG2 :: 22.119 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 :: 8.393 HA :: 3.076 HB :: 1.694 HG11 :: 0.594 HG12 :: 0.594 HG13 :: 0.594 HG21 :: 0.497 HG22 :: 0.497 HG23 :: 0.497 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 :: 119.864 Ave N Shift Values>> N :: 121.02(4.96) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.611 CA :: 59.669 CB :: 60.281 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.816 HA :: 4.002 HB2 :: 3.828 HB3 :: 3.828 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 :: 112.969 Ave N Shift Values>> N :: 116.3(3.95) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 I 0.04 C Shift Assignments>> C :: 176.242 CA :: 63.516 CB :: 29.968 CG1 :: 18.998 CG2 :: 19.940 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 :: 6.977 HA :: 3.702 HB :: 2.036 HG11 :: 0.850 HG12 :: 0.850 HG13 :: 0.850 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 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 :: 121.568 Ave N Shift Values>> N :: 121.02(4.96) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.47 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 176.453 CA :: 52.923 CB :: 16.419 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.221 HA :: 3.821 HB1 :: 1.239 HB2 :: 1.239 HB3 :: 1.239 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.174 Ave N Shift Values>> N :: 123.23(3.7) 1.Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 R 0.44 M 0.05 V 0.02 C Shift Assignments>> C :: 175.008 CA :: 57.822 CB :: 25.235 CG :: 30.631 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 :: 9.168 HA :: 3.359 HB2 :: 2.025 HB3 :: 1.911 HG2 :: 1.854 HG3 :: 2.125 HE21 :: 6.668 HE22 :: 7.506 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 :: 117.542 NE2 :: 111.386 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.3 R 0.17 E 0.09 I 0.02 M 0.01 C Shift Assignments>> C :: 177.650 CA :: 57.195 CB :: 27.131 CG :: 33.802 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 :: 7.331 HA :: 4.001 HB2 :: 2.062 HB3 :: 2.062 HG2 :: 2.317 HG3 :: 2.146 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 :: 118.176 Ave N Shift Values>> N :: 120.68(3.68) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 K 0.41 Q 0.09 M 0.04 C Shift Assignments>> C :: 177.409 CA :: 56.684 CB :: 26.183 CG :: 31.867 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 :: 7.691 HA :: 3.976 HB2 :: 2.096 HB3 :: 1.951 HG2 :: 2.255 HG3 :: 2.467 HE21 :: 7.010 HE22 :: 6.613 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 :: 118.208 NE2 :: 109.278 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 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 :: 175.380 CA :: 62.465 CB :: 34.998 CG1 :: 26.966 CG2 :: 15.521 CD1 :: 10.391 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 :: 8.571 HA :: 3.662 HB :: 1.747 HG12 :: 1.597 HG13 :: 0.932 HG21 :: 0.628 HG22 :: 0.628 HG23 :: 0.628 HD11 :: 0.558 HD12 :: 0.558 HD13 :: 0.558 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 :: 121.029 Ave N Shift Values>> N :: 121.6(4.72) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 I 0.25 K 0.19 Q 0.15 R 0.03 M 0.01 C Shift Assignments>> C :: 177.708 CA :: 58.147 CB :: 27.147 CG :: 35.712 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 :: 8.963 HA :: 3.718 HB2 :: 2.134 HB3 :: 1.882 HG2 :: 2.164 HG3 :: 2.428 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 :: 119.850 Ave N Shift Values>> N :: 120.68(3.68) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 173.512 CA :: 44.947 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.840 HA2 :: 3.742 HA3 :: 3.864 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.539 Ave N Shift Values>> N :: 109.91(4.29) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.92 A 0.07 C Shift Assignments>> C :: 176.166 CA :: 56.790 CB :: 31.208 CG :: 29.663 CE :: 15.388 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 :: 7.651 HA :: 4.109 HB2 :: 2.203 HB3 :: 1.963 HG2 :: 2.424 HG3 :: 2.678 HE1 :: 1.918 HE2 :: 1.918 HE3 :: 1.918 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 :: 121.779 Ave N Shift Values>> N :: 120.1(3.88) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 HN Overlap>> 1.I94 1.I94 C Shift Assignments>> C :: 174.681 CA :: 64.974 CB :: 29.650 CG1 :: 18.849 CG2 :: 20.870 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 :: 8.258 HA :: 3.267 HB :: 2.075 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 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 :: 118.934 Ave N Shift Values>> N :: 121.02(4.96) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 K 0.24 R 0.23 M 0.06 A 0.06 V 0.01 HN Overlap>> 1.N95 1.N95 C Shift Assignments>> C :: 176.411 CA :: 57.481 CB :: 29.668 CG :: 22.901 CD :: 27.006 CE :: 39.694 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 :: 7.874 HA :: 3.802 HB2 :: 1.807 HB3 :: 2.074 HG2 :: 1.352 HG3 :: 1.488 HD2 :: 1.599 HD3 :: 1.599 HE2 :: 2.878 HE3 :: 2.878 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 :: 117.722 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 D 0.23 Y 0.18 F 0.15 L 0.07 E 0.02 I 0.01 C Shift Assignments>> C :: 175.894 CA :: 54.780 CB :: 39.049 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 :: 7.693 HA :: 4.341 HB2 :: 2.601 HB3 :: 2.687 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 :: 117.489 Ave N Shift Values>> N :: 120.73(4.2) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 L 0.47 C Shift Assignments>> C :: 177.582 CA :: 55.255 CB :: 40.808 CG :: 25.068 CD1 :: 24.301 CD2 :: 20.846 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 :: 7.820 HA :: 3.945 HB2 :: 1.825 HB3 :: 1.188 HG :: 1.726 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 HD21 :: 0.640 HD22 :: 0.640 HD23 :: 0.640 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 :: 118.532 Ave N Shift Values>> N :: 121.98(4.07) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V90 1.V90 C Shift Assignments>> C :: 175.663 CA :: 62.458 CB :: 35.837 CG1 :: 26.806 CG2 :: 14.809 CD1 :: 11.424 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 :: 8.291 HA :: 3.852 HB :: 1.866 HG12 :: 1.140 HG13 :: 1.611 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 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 :: 119.002 Ave N Shift Values>> N :: 121.6(4.72) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 M 0.1 E 0.09 Y 0.07 D 0.03 F 0.03 K 0.02 HN Overlap>> 1.K91 1.K91 C Shift Assignments>> C :: 174.016 CA :: 52.444 CB :: 36.522 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 :: 7.959 HA :: 4.575 HB2 :: 2.823 HB3 :: 2.823 HD21 :: 6.826 HD22 :: 7.647 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 :: 117.793 ND2 :: 112.443 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 L 0.4 R 0.07 C Shift Assignments>> C :: 174.249 CA :: 54.604 CB :: 28.407 CG :: 25.046 CD :: 41.230 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 :: 7.791 HA :: 4.281 HB2 :: 1.834 HB3 :: 1.750 HG2 :: 1.589 HG3 :: 1.644 HD2 :: 3.060 HD3 :: 3.023 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 :: 118.048 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.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.892 CA :: 56.419 CB :: 61.775 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.950 HA :: 4.387 HB2 :: 3.757 HB3 :: 3.757 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 :: 115.020 Ave N Shift Values>> N :: 116.3(3.95) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.18 K 0.18 D 0.1 F 0.07 Y 0.05 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 169.316 CA :: 42.410 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.957 HA2 :: 3.906 HA3 :: 3.906 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.476 Ave N Shift Values>> N :: 109.91(4.29) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.97 P 0.01 C Shift Assignments>> C :: 175.011 CA :: 60.914 CB :: 29.643 CG :: 24.704 CD :: 47.321 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 :: 4.264 HB2 :: 2.065 HB3 :: 1.817 HG2 :: 1.833 HG3 :: 1.785 HD2 :: 3.258 HD3 :: 3.415 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.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S30 1.S30 C Shift Assignments>> C :: 172.264 CA :: 55.996 CB :: 61.404 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.320 HA :: 4.345 HB2 :: 3.799 HB3 :: 3.838 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 :: 115.642 Ave N Shift Values>> N :: 116.3(3.95) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.537 CA :: 56.049 CB :: 61.775 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.143 HA :: 4.333 HB2 :: 3.749 HB3 :: 3.749 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 :: 117.360 Ave N Shift Values>> N :: 116.3(3.95) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.3 G 0.2 D 0.04 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 176.648 CA :: 43.851 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.902 HA2 :: 3.672 HA3 :: 3.637 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.359 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 98 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 98 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 102 #Suspicious: 0 C Shift Results: #Consistent: 423 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 679 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 98 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A33 C = 169.801(S), Expected = 177.80, Std = 2.1800, ChiSquare = 2.4325e-04 1.S35 HA = 2.671(S), Expected = 4.51, Std = 0.4300, ChiSquare = 1.8965e-05 1.R39 HG3 = 0.638(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.8503e-04 1.G74 C = 166.281(S), Expected = 174.04, Std = 1.9400, ChiSquare = 6.3481e-05