Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.K1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.56 R 0.36 M 0.04 G 0.02 C Shift Assignments>> CA :: 56.874 CB :: 33.499 CG :: 25.019 CD :: 29.579 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>> HA :: 4.240 HB2 :: 1.714 HB3 :: 1.674 HG2 :: 1.321 HG3 :: 1.321 HD2 :: 1.573 HD3 :: 1.573 HE2 :: 2.881 HE3 :: 2.881 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.K2 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>> CA :: 57.124 CB :: 33.352 CG :: 25.068 CD :: 29.515 CE :: 42.504 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 :: 8.548 HA :: 4.161 HB2 :: 1.690 HB3 :: 1.681 HG2 :: 1.312 HG3 :: 1.325 HD2 :: 1.569 HD3 :: 1.569 HE2 :: 2.891 HE3 :: 2.891 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 :: 124.329 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 R 0.12 K 0.11 F 0.11 Q 0.1 H 0.09 S 0.08 M 0.08 L 0.06 D 0.02 I 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.446 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 :: 8.628 HA :: 4.141 HB2 :: 1.853 HB3 :: 1.954 HG2 :: 2.185 HG3 :: 2.185 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 :: 121.759 Ave N Shift Values>> N :: 120.68(3.68) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 Q 0.22 E 0.07 K 0.04 C Shift Assignments>> CA :: 56.172 CB :: 32.993 CG :: 32.385 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 :: 8.280 HA :: 4.308 HB2 :: 1.929 HB3 :: 1.993 HG2 :: 2.427 HG3 :: 2.501 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.126 Ave N Shift Values>> N :: 120.1(3.88) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 E 0.2 H 0.18 Q 0.14 M 0.1 K 0.09 I 0.03 V 0.02 C Shift Assignments>> CA :: 57.409 CB :: 30.574 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 :: 8.305 HA :: 4.110 HB2 :: 1.881 HB3 :: 1.953 HG2 :: 2.152 HG3 :: 2.152 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 :: 121.625 Ave N Shift Values>> N :: 120.68(3.68) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 R 0.19 H 0.18 Q 0.15 K 0.1 M 0.09 I 0.03 V 0.02 C Shift Assignments>> CA :: 57.331 CB :: 30.344 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 :: 8.395 HA :: 4.106 HB2 :: 1.867 HB3 :: 1.940 HG2 :: 2.151 HG3 :: 2.203 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 :: 121.342 Ave N Shift Values>> N :: 120.68(3.68) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.18 K 0.12 C Shift Assignments>> CA :: 56.622 CB :: 31.008 CG :: 27.158 CD :: 43.755 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 :: 8.258 HA :: 4.226 HB2 :: 1.676 HB3 :: 1.762 HG2 :: 1.514 HG3 :: 1.514 HD2 :: 3.085 HD3 :: 3.086 HE :: 7.183 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 :: 121.883 NE :: 88.150 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.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 E 0.33 Q 0.14 K 0.03 I 0.01 C Shift Assignments>> CA :: 56.447 CB :: 35.092 CG :: 32.261 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 :: 8.035 HA :: 4.413 HB2 :: 1.856 HB3 :: 1.943 HG2 :: 2.438 HG3 :: 2.476 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 :: 121.939 Ave N Shift Values>> N :: 120.1(3.88) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> CA :: 57.900 CB :: 65.709 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.741 HA :: 4.434 HB2 :: 3.927 HB3 :: 4.247 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 :: 117.544 Ave N Shift Values>> N :: 116.3(3.95) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 K 0.41 R 0.02 G 0.01 C Shift Assignments>> CA :: 59.182 CB :: 41.696 CD1 :: 26.289 CD2 :: 24.574 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 :: 9.193 HA :: 3.917 HB2 :: 1.517 HB3 :: 1.819 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.959 HD22 :: 0.959 HD23 :: 0.959 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 :: 125.516 Ave N Shift Values>> N :: 121.98(4.07) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 E 0.13 K 0.1 R 0.09 H 0.08 Q 0.08 V 0.07 P 0.03 M 0.01 C Shift Assignments>> CA :: 60.707 CB :: 29.144 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 :: 8.767 HA :: 3.836 HB2 :: 1.942 HB3 :: 1.946 HG2 :: 2.253 HG3 :: 2.335 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 :: 118.542 Ave N Shift Values>> N :: 120.68(3.68) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 R 0.17 H 0.13 I 0.12 Q 0.11 K 0.09 V 0.07 M 0.05 P 0.01 HN Overlap>> 1.K14 2.R16 1.K14 2.R16 C Shift Assignments>> CA :: 59.446 CB :: 30.150 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 :: 7.981 HA :: 3.970 HB2 :: 1.932 HB3 :: 2.091 HG2 :: 2.248 HG3 :: 2.248 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 :: 119.559 Ave N Shift Values>> N :: 120.68(3.68) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 68.240 CB :: 68.672 CG2 :: 22.274 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 :: 8.170 HA :: 3.701 HB :: 4.226 HG21 :: 1.074 HG22 :: 1.074 HG23 :: 1.074 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 :: 117.621 Ave N Shift Values>> N :: 115.7(5.05) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 K 0.35 G 0.05 M 0.01 HN Overlap>> 1.E12 1.E12 2.R16 2.R16 C Shift Assignments>> CA :: 60.996 CB :: 32.742 CG :: 26.360 CD :: 30.263 CE :: 42.418 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 :: 8.001 HA :: 3.719 HB2 :: 1.773 HB3 :: 1.773 HG2 :: 1.202 HG3 :: 1.501 HD2 :: 1.538 HD3 :: 1.538 HE2 :: 2.692 HE3 :: 2.769 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 :: 119.569 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.18 I 0.17 R 0.15 H 0.12 Q 0.11 K 0.11 V 0.06 M 0.03 P 0.01 C Shift Assignments>> CA :: 59.720 CB :: 29.733 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 :: 7.845 HA :: 3.962 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.184 HG3 :: 2.321 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 :: 119.342 Ave N Shift Values>> N :: 120.68(3.68) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 K 0.16 E 0.15 R 0.14 Q 0.13 H 0.11 L 0.02 M 0.01 V 0.01 HN Overlap>> 2.D12 2.D12 C Shift Assignments>> CA :: 59.334 CB :: 28.586 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 :: 8.151 HA :: 3.980 HB2 :: 2.032 HB3 :: 2.121 HG2 :: 2.402 HG3 :: 2.402 HE21 :: 7.398 HE22 :: 6.764 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 :: 118.963 NE2 :: 111.155 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 67.356 CB :: 38.621 CG2 :: 18.103 CD1 :: 14.871 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 :: 8.145 HA :: 3.389 HB :: 1.792 HG21 :: 0.789 HG22 :: 0.789 HG23 :: 0.789 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 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 :: 119.893 Ave N Shift Values>> N :: 121.6(4.72) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 K 0.18 G 0.02 R 0.01 C Shift Assignments>> CA :: 58.853 CB :: 41.991 CD1 :: 24.263 CD2 :: 25.451 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 :: 7.594 HA :: 4.053 HB2 :: 1.584 HB3 :: 1.775 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 118.906 Ave N Shift Values>> N :: 121.98(4.07) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.21 K 0.19 M 0.14 R 0.12 E 0.1 Q 0.09 H 0.08 I 0.02 P 0.01 C Shift Assignments>> CA :: 59.359 CB :: 32.528 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 :: 7.780 HA :: 4.015 HB2 :: 1.774 HB3 :: 1.881 HG2 :: 1.436 HG3 :: 1.436 HD2 :: 1.572 HD3 :: 1.572 HE2 :: 2.876 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 :: 118.001 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 L 0.42 G 0.06 R 0.03 HN Overlap>> 1.E29 2.E17 1.E29 2.E17 C Shift Assignments>> CA :: 58.194 CB :: 42.587 CD1 :: 27.474 CD2 :: 23.073 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 :: 8.154 HA :: 4.060 HB2 :: 1.250 HB3 :: 1.883 HG :: 1.786 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.836 HD22 :: 0.836 HD23 :: 0.836 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 :: 121.782 Ave N Shift Values>> N :: 121.98(4.07) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 E 0.15 K 0.11 R 0.1 H 0.09 Q 0.09 V 0.06 P 0.02 M 0.02 C Shift Assignments>> CA :: 60.413 CB :: 29.191 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 :: 8.915 HA :: 3.873 HB2 :: 1.878 HB3 :: 2.221 HG2 :: 2.140 HG3 :: 2.525 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 :: 120.513 Ave N Shift Values>> N :: 120.68(3.68) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 E 0.18 R 0.14 H 0.11 Q 0.1 K 0.1 V 0.08 M 0.03 P 0.02 C Shift Assignments>> CA :: 59.992 CB :: 29.819 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 :: 7.859 HA :: 3.995 HB2 :: 2.041 HB3 :: 2.164 HG2 :: 2.438 HG3 :: 2.438 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 :: 119.993 Ave N Shift Values>> N :: 120.68(3.68) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 K 0.17 R 0.13 M 0.13 E 0.11 H 0.08 Q 0.07 I 0.03 P 0.02 C Shift Assignments>> CA :: 59.468 CB :: 32.323 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 :: 7.727 HA :: 4.121 HB2 :: 1.905 HB3 :: 2.091 HE2 :: 2.829 HE3 :: 2.829 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 :: 122.634 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 L 0.42 R 0.07 G 0.01 HN Overlap>> 2.I25 2.I25 C Shift Assignments>> CA :: 58.611 CB :: 41.981 CD1 :: 26.638 CD2 :: 25.193 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 :: 8.761 HA :: 3.960 HB2 :: 1.526 HB3 :: 1.951 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.943 HD22 :: 0.943 HD23 :: 0.943 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.216 Ave N Shift Values>> N :: 121.98(4.07) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 K 0.13 G 0.02 C Shift Assignments>> CA :: 58.454 CB :: 42.076 CD1 :: 24.095 CD2 :: 25.264 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 :: 7.632 HA :: 4.061 HB2 :: 1.560 HB3 :: 1.760 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 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 :: 117.901 Ave N Shift Values>> N :: 121.98(4.07) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.05 C Shift Assignments>> CA :: 55.585 CB :: 18.080 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.637 HA :: 4.138 HB1 :: 1.500 HB2 :: 1.500 HB3 :: 1.500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.976 Ave N Shift Values>> N :: 123.23(3.7) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 K 0.26 G 0.2 R 0.05 C Shift Assignments>> CA :: 58.227 CB :: 43.400 CD1 :: 27.238 CD2 :: 23.400 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 :: 8.645 HA :: 4.136 HB2 :: 1.293 HB3 :: 2.048 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 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 :: 122.132 Ave N Shift Values>> N :: 121.98(4.07) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 R 0.18 K 0.13 Q 0.11 E 0.1 H 0.08 L 0.05 P 0.02 C Shift Assignments>> CA :: 59.638 CB :: 27.807 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 :: 8.608 HA :: 3.894 HB2 :: 1.877 HB3 :: 2.280 HG2 :: 2.342 HG3 :: 2.543 HE21 :: 7.094 HE22 :: 6.701 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 :: 118.226 NE2 :: 109.497 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 I 0.17 K 0.17 Q 0.14 H 0.13 R 0.12 M 0.02 V 0.02 L 0.01 HN Overlap>> 1.L20 1.L20 2.E17 2.E17 C Shift Assignments>> CA :: 59.160 CB :: 28.901 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 :: 8.073 HA :: 4.348 HB2 :: 2.023 HB3 :: 2.121 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 :: 121.832 Ave N Shift Values>> N :: 120.68(3.68) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 E 0.16 R 0.13 K 0.1 H 0.1 Q 0.1 V 0.08 M 0.02 P 0.02 C Shift Assignments>> CA :: 60.206 CB :: 29.574 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 :: 8.207 HA :: 3.922 HB2 :: 2.082 HB3 :: 2.237 HG2 :: 2.004 HG3 :: 2.318 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 :: 123.110 Ave N Shift Values>> N :: 120.68(3.68) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 K 0.12 P 0.09 M 0.08 R 0.08 Q 0.06 E 0.06 H 0.04 I 0.03 C Shift Assignments>> CA :: 60.500 CB :: 32.765 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 :: 8.641 HA :: 3.798 HB2 :: 1.826 HB3 :: 2.036 HD2 :: 1.523 HD3 :: 1.603 HE2 :: 2.838 HE3 :: 2.838 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.723 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> CA :: 59.269 CB :: 28.806 CD2 :: 120.298 CE1 :: 136.752 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 :: 8.056 HA :: 4.474 HB2 :: 3.225 HB3 :: 3.492 HD2 :: 7.259 HE1 :: 8.534 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 :: 117.559 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 I 0.17 K 0.17 Q 0.14 E 0.13 H 0.11 L 0.04 M 0.01 C Shift Assignments>> CA :: 58.899 CB :: 28.219 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 :: 8.329 HA :: 3.766 HB2 :: 2.103 HB3 :: 2.101 HG2 :: 2.500 HG3 :: 2.504 HE21 :: 7.839 HE22 :: 6.782 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 :: 115.859 NE2 :: 113.065 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 K 0.32 G 0.09 R 0.03 HN Overlap>> 2.K27 2.K27 C Shift Assignments>> CA :: 58.562 CB :: 42.865 CD1 :: 26.814 CD2 :: 23.498 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.833 HA :: 3.976 HB2 :: 1.179 HB3 :: 1.179 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 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 :: 120.472 Ave N Shift Values>> N :: 121.98(4.07) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 2.L35 2.L35 C Shift Assignments>> CA :: 61.575 CB :: 39.498 CD1 :: 132.035 CD2 :: 132.035 CE1 :: 132.203 CE2 :: 132.203 CZ :: 130.578 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 :: 8.385 HA :: 3.946 HB2 :: 3.182 HB3 :: 3.185 HD1 :: 7.035 HD2 :: 7.035 HE1 :: 7.240 HE2 :: 7.240 HZ :: 7.194 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 :: 119.765 Ave N Shift Values>> N :: 120.69(4.18) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 K 0.06 G 0.05 A 0.02 C Shift Assignments>> CA :: 56.780 CB :: 42.667 CD1 :: 25.660 CD2 :: 22.599 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 :: 7.686 HA :: 3.796 HB2 :: 1.379 HB3 :: 1.653 HD11 :: 0.638 HD12 :: 0.638 HD13 :: 0.638 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 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 :: 116.132 Ave N Shift Values>> N :: 121.98(4.07) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 H 0.17 M 0.17 E 0.15 K 0.14 Q 0.12 V 0.02 I 0.01 C Shift Assignments>> CA :: 56.431 CB :: 31.176 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 :: 7.561 HA :: 4.118 HB2 :: 2.087 HB3 :: 2.249 HE21 :: 7.068 HE22 :: 6.781 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 :: 116.696 NE2 :: 111.677 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 K 0.18 G 0.11 R 0.04 C Shift Assignments>> CA :: 57.829 CB :: 43.205 CD1 :: 26.239 CD2 :: 24.419 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 :: 7.066 HA :: 3.783 HB2 :: 1.291 HB3 :: 1.419 HG :: 1.538 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 HD21 :: 0.734 HD22 :: 0.734 HD23 :: 0.734 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 :: 125.892 Ave N Shift Values>> N :: 121.98(4.07) 2.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.41 L 0.31 G 0.11 D 0.05 F 0.04 K 0.04 I 0.01 C Shift Assignments>> CA :: 43.499 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.748 HA3 :: 3.750 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 2.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 G 0.17 K 0.06 A 0.02 R 0.01 C Shift Assignments>> CA :: 55.261 CB :: 43.465 CD1 :: 23.558 CD2 :: 25.867 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 :: 8.563 HA :: 4.373 HB2 :: 1.396 HB3 :: 1.464 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 HD21 :: 0.726 HD22 :: 0.726 HD23 :: 0.726 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 :: 121.505 Ave N Shift Values>> N :: 121.98(4.07) 2.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 57.703 CB :: 65.418 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.944 HA :: 4.361 HB2 :: 3.970 HB3 :: 4.260 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 :: 118.554 Ave N Shift Values>> N :: 116.3(3.95) 2.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 R 0.23 V 0.13 P 0.11 M 0.03 Q 0.02 I 0.01 HN Overlap>> 2.M11 2.M11 C Shift Assignments>> CA :: 60.329 CB :: 32.025 CG :: 25.221 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 :: 8.819 HA :: 3.869 HB2 :: 1.717 HB3 :: 1.842 HG2 :: 1.375 HG3 :: 1.442 HD2 :: 1.616 HD3 :: 1.616 HE2 :: 2.897 HE3 :: 2.897 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 :: 121.597 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 E 0.13 R 0.09 K 0.09 V 0.08 H 0.08 Q 0.07 P 0.04 M 0.01 C Shift Assignments>> CA :: 60.828 CB :: 29.307 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 :: 8.552 HA :: 3.855 HB2 :: 1.823 HB3 :: 1.971 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 :: 116.111 Ave N Shift Values>> N :: 120.68(3.68) 2.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 R 0.18 H 0.13 V 0.1 Q 0.09 K 0.09 I 0.08 M 0.08 P 0.01 C Shift Assignments>> CA :: 59.298 CB :: 30.789 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 :: 7.734 HA :: 3.962 HB2 :: 1.886 HB3 :: 2.198 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 :: 119.762 Ave N Shift Values>> N :: 120.68(3.68) 2.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 K 0.4 R 0.08 G 0.05 C Shift Assignments>> CA :: 59.386 CB :: 42.421 CD1 :: 26.417 CD2 :: 25.222 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 :: 8.575 HA :: 3.870 HB2 :: 1.302 HB3 :: 1.949 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 HD21 :: 0.759 HD22 :: 0.759 HD23 :: 0.759 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 :: 123.723 Ave N Shift Values>> N :: 121.98(4.07) 2.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.353 CB :: 38.100 CG1 :: 29.627 CG2 :: 17.458 CD1 :: 13.149 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 :: 8.129 HA :: 3.588 HB :: 1.823 HG12 :: 1.146 HG13 :: 1.625 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 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 :: 119.504 Ave N Shift Values>> N :: 121.6(4.72) 2.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 K 0.16 E 0.15 Q 0.13 R 0.13 H 0.11 L 0.02 V 0.02 M 0.01 C Shift Assignments>> CA :: 59.483 CB :: 28.662 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 :: 7.881 HA :: 4.092 HB2 :: 2.055 HB3 :: 2.146 HG2 :: 2.358 HG3 :: 2.489 HE21 :: 7.443 HE22 :: 6.758 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 :: 118.754 NE2 :: 111.146 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 D 0.19 L 0.14 I 0.09 N 0.07 K 0.05 E 0.02 C Shift Assignments>> CA :: 56.957 CB :: 39.757 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 :: 8.301 HA :: 4.436 HB2 :: 2.584 HB3 :: 2.874 HD21 :: 7.431 HD22 :: 7.180 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.030 ND2 :: 113.404 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.M11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 E 0.31 Q 0.2 I 0.05 K 0.02 HN Overlap>> 2.K4 2.K4 C Shift Assignments>> CA :: 60.399 CB :: 32.923 CG :: 34.102 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 :: 8.728 HA :: 3.807 HB2 :: 2.116 HB3 :: 2.249 HG2 :: 2.345 HG3 :: 2.678 HE1 :: 2.000 HE2 :: 2.000 HE3 :: 2.000 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 :: 121.627 Ave N Shift Values>> N :: 120.1(3.88) 2.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 K 0.22 L 0.16 D 0.11 I 0.08 R 0.04 N 0.01 HN Overlap>> 1.Q16 1.Q16 C Shift Assignments>> CA :: 57.842 CB :: 40.850 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 :: 8.202 HA :: 4.320 HB2 :: 2.606 HB3 :: 2.737 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 :: 118.897 Ave N Shift Values>> N :: 120.73(4.2) 2.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.22 I 0.13 G 0.1 L 0.02 C Shift Assignments>> CA :: 60.188 CB :: 29.597 CD :: 43.052 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 :: 7.720 HA :: 3.879 HB2 :: 1.822 HB3 :: 2.157 HG2 :: 1.474 HG3 :: 1.599 HD2 :: 3.057 HD3 :: 3.243 HE :: 7.003 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.285 NE :: 117.780 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.219 CB :: 31.812 CG1 :: 23.965 CG2 :: 23.316 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 :: 8.278 HA :: 3.520 HB :: 1.981 HG11 :: 0.889 HG12 :: 0.889 HG13 :: 0.889 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 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 :: 120.666 Ave N Shift Values>> N :: 121.02(4.96) 2.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 K 0.16 I 0.13 L 0.13 D 0.08 R 0.02 N 0.01 HN Overlap>> 2.E36 2.E36 C Shift Assignments>> CA :: 58.280 CB :: 40.577 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 :: 8.525 HA :: 4.422 HB2 :: 2.526 HB3 :: 2.807 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 :: 120.196 Ave N Shift Values>> N :: 120.73(4.2) 2.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 G 0.33 K 0.04 I 0.04 HN Overlap>> 1.E12 1.K14 1.E12 1.K14 C Shift Assignments>> CA :: 60.116 CB :: 30.374 CD :: 43.898 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 :: 7.899 HA :: 4.024 HB2 :: 2.015 HB3 :: 2.320 HD2 :: 3.064 HD3 :: 3.192 HE :: 7.376 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 :: 119.614 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 E 0.45 K 0.04 M 0.02 HN Overlap>> 1.L20 1.E29 1.L20 1.E29 C Shift Assignments>> CA :: 60.040 CB :: 29.872 CG :: 36.959 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 :: 8.080 HA :: 3.990 HB2 :: 2.080 HB3 :: 2.183 HG2 :: 2.186 HG3 :: 2.391 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 :: 121.832 Ave N Shift Values>> N :: 120.68(3.68) 2.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 67.131 CB :: 38.266 CG2 :: 16.981 CD1 :: 14.073 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 :: 8.966 HA :: 3.356 HB :: 2.030 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 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 :: 121.141 Ave N Shift Values>> N :: 121.6(4.72) 2.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.114 CB :: 69.116 CG2 :: 22.138 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 :: 7.973 HA :: 3.945 HB :: 4.136 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.431 Ave N Shift Values>> N :: 115.7(5.05) 2.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 Q 0.19 E 0.08 K 0.05 R 0.01 C Shift Assignments>> CA :: 59.417 CB :: 32.773 CG :: 32.289 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 :: 7.679 HA :: 4.110 HB2 :: 2.154 HB3 :: 2.154 HG2 :: 2.474 HG3 :: 2.636 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 :: 119.663 Ave N Shift Values>> N :: 120.1(3.88) 2.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.284 CB :: 31.740 CG1 :: 24.192 CG2 :: 24.425 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 :: 8.442 HA :: 3.726 HB :: 2.101 HG11 :: 0.955 HG12 :: 0.955 HG13 :: 0.955 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 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 :: 122.123 Ave N Shift Values>> N :: 121.02(4.96) 2.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 E 0.2 C Shift Assignments>> CA :: 60.826 CB :: 29.833 CG :: 38.195 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 :: 8.991 HA :: 3.861 HB2 :: 1.841 HB3 :: 2.283 HG2 :: 2.076 HG3 :: 2.568 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 :: 119.441 Ave N Shift Values>> N :: 120.68(3.68) 2.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 K 0.16 E 0.15 R 0.14 Q 0.13 H 0.11 L 0.02 M 0.01 V 0.01 C Shift Assignments>> CA :: 59.363 CB :: 28.540 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 :: 8.136 HA :: 4.053 HB2 :: 2.060 HB3 :: 2.242 HG2 :: 2.366 HG3 :: 2.602 HE21 :: 7.426 HE22 :: 6.779 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 :: 118.797 NE2 :: 111.425 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 Q 0.25 K 0.25 I 0.09 M 0.05 R 0.02 C Shift Assignments>> CA :: 59.468 CB :: 29.360 CG :: 34.598 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 :: 8.046 HA :: 4.054 HG2 :: 2.342 HG3 :: 2.499 HE21 :: 7.106 HE22 :: 6.720 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 :: 121.123 NE2 :: 109.416 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> CA :: 67.319 CB :: 38.651 CG2 :: 18.192 CD1 :: 15.044 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 :: 8.762 HA :: 3.395 HB :: 1.846 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 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 :: 120.189 Ave N Shift Values>> N :: 121.6(4.72) 2.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.260 CB :: 63.000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.033 HA :: 4.024 HB2 :: 3.891 HB3 :: 3.906 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 :: 113.771 Ave N Shift Values>> N :: 116.3(3.95) 2.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.35 K 0.15 M 0.1 Q 0.09 R 0.08 E 0.06 P 0.06 H 0.04 I 0.03 HN Overlap>> 1.L34 1.L34 C Shift Assignments>> CA :: 60.212 CB :: 32.952 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 :: 7.764 HA :: 3.942 HB2 :: 1.858 HB3 :: 1.858 HE2 :: 2.874 HE3 :: 2.874 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 :: 120.484 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 L 0.39 G 0.05 R 0.05 C Shift Assignments>> CA :: 58.338 CB :: 42.655 CD1 :: 27.380 CD2 :: 23.567 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 :: 8.081 HA :: 4.018 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.941 Ave N Shift Values>> N :: 121.98(4.07) 2.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.37 K 0.12 P 0.09 R 0.09 M 0.08 E 0.07 Q 0.05 H 0.05 I 0.04 C Shift Assignments>> CA :: 60.457 CB :: 32.542 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 :: 8.910 HA :: 3.891 HB2 :: 1.720 HB3 :: 1.905 HD2 :: 1.566 HD3 :: 1.566 HE2 :: 2.737 HE3 :: 2.737 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 :: 120.373 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 K 0.16 R 0.14 M 0.13 E 0.12 H 0.09 Q 0.05 I 0.04 P 0.02 C Shift Assignments>> CA :: 59.528 CB :: 32.164 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 :: 7.552 HA :: 4.084 HB2 :: 1.870 HB3 :: 1.870 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 :: 120.142 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 R 0.42 I 0.05 G 0.01 C Shift Assignments>> CA :: 59.210 CB :: 31.810 CE :: 42.157 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 :: 7.555 HA :: 4.093 HB2 :: 1.893 HB3 :: 2.016 HG2 :: 1.438 HG3 :: 1.438 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.868 HE3 :: 2.865 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 :: 121.179 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 R 0.16 K 0.15 Q 0.13 E 0.13 H 0.1 L 0.04 M 0.01 V 0.01 P 0.01 C Shift Assignments>> CA :: 59.318 CB :: 28.211 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 :: 8.874 HA :: 3.615 HB2 :: 2.069 HB3 :: 2.069 HE21 :: 7.674 HE22 :: 6.390 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 :: 119.471 NE2 :: 108.410 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 I 0.17 Q 0.17 R 0.11 H 0.11 E 0.09 P 0.06 L 0.04 M 0.01 C Shift Assignments>> CB :: 28.434 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 :: 7.746 HA :: 4.015 HB2 :: 2.104 HB3 :: 2.104 HE21 :: 7.617 HE22 :: 6.735 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 :: 117.254 NE2 :: 111.930 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 K 0.15 R 0.14 E 0.14 Q 0.13 H 0.11 L 0.02 V 0.01 M 0.01 P 0.01 C Shift Assignments>> CA :: 59.501 CB :: 28.465 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 :: 7.749 HA :: 4.001 HB2 :: 2.166 HB3 :: 2.166 HE21 :: 7.620 HE22 :: 6.766 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 :: 118.996 NE2 :: 111.847 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 G 0.14 K 0.1 HN Overlap>> 1.F35 1.F35 C Shift Assignments>> CA :: 58.067 CB :: 43.134 CD1 :: 26.219 CD2 :: 22.868 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 :: 8.370 HA :: 4.015 HB2 :: 1.346 HB3 :: 1.999 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 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 :: 119.707 Ave N Shift Values>> N :: 121.98(4.07) 2.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 E 0.33 K 0.01 M 0.01 HN Overlap>> 2.D15 2.D15 C Shift Assignments>> CA :: 59.711 CB :: 29.795 CG :: 38.143 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 :: 8.566 HA :: 3.902 HB2 :: 1.879 HB3 :: 2.182 HG2 :: 2.148 HG3 :: 2.521 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 :: 120.297 Ave N Shift Values>> N :: 120.68(3.68) 2.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 R 0.15 I 0.14 H 0.13 Q 0.12 K 0.12 V 0.05 M 0.04 C Shift Assignments>> CA :: 59.373 CB :: 29.705 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 :: 8.073 HA :: 3.999 HB2 :: 2.006 HB3 :: 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 :: 120.008 Ave N Shift Values>> N :: 120.68(3.68) 2.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 R 0.18 H 0.15 Q 0.14 K 0.11 I 0.08 M 0.06 V 0.04 C Shift Assignments>> CA :: 58.664 CB :: 30.091 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 :: 7.963 HA :: 3.996 HB2 :: 2.011 HB3 :: 2.011 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 :: 118.833 Ave N Shift Values>> N :: 120.68(3.68) 2.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.31 C Shift Assignments>> CA :: 53.501 CB :: 18.990 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.643 HA :: 4.162 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.844 Ave N Shift Values>> N :: 123.23(3.7) 2.A40 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>> CA :: 52.671 CB :: 19.386 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.540 HA :: 4.204 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.375 Ave N Shift Values>> N :: 123.23(3.7) 2.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 M 0.1 C Shift Assignments>> CA :: 54.481 CB :: 32.594 CG :: 24.929 CD :: 29.614 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 :: 7.739 HA :: 4.468 HB2 :: 1.696 HB3 :: 1.791 HG2 :: 1.400 HG3 :: 1.489 HD2 :: 1.612 HD3 :: 1.612 HE2 :: 2.901 HE3 :: 2.901 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 :: 121.833 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.039 CB :: 32.379 CG :: 27.598 CD :: 50.641 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 :: 4.145 HB2 :: 1.786 HB3 :: 2.128 HG2 :: 1.880 HG3 :: 1.880 HD2 :: 3.532 HD3 :: 3.696 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) ########################################################################### Overall Results: #Consistent: 80 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 80 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 80 #Suspicious: 0 C Shift Results: #Consistent: 232 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 578 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 90 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0