Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.49 I 0.37 A 0.12 C Shift Assignments>> CE :: 16.650 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>> HE1 :: 2.084 HE2 :: 2.084 HE3 :: 2.084 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) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.27 L 0.2 K 0.13 C 0.1 N 0.08 F 0.07 Y 0.06 R 0.04 C Shift Assignments>> CA :: 54.253 CB :: 41.319 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>> HA :: 4.640 HB2 :: 2.664 HB3 :: 2.538 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.F3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 C 0.34 Y 0.29 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> CA :: 57.844 CB :: 39.567 CD1 :: 131.723 CE1 :: 131.355 CZ :: 131.458 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 :: 8.317 HA :: 4.588 HB2 :: 3.175 HB3 :: 3.039 HD1 :: 7.286 HD2 :: 7.286 HE1 :: 7.387 HE2 :: 7.387 HZ :: 7.474 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.513 Ave N Shift Values>> N :: 120.69(4.18) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.1 K 0.1 Q 0.07 I 0.03 HN Overlap>> 1.E13 1.E13 C Shift Assignments>> CA :: 56.455 CB :: 30.108 CG :: 36.010 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 :: 8.441 HA :: 4.256 HB2 :: 2.017 HB3 :: 1.924 HG2 :: 2.207 HG3 :: 2.202 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 :: 122.014 Ave N Shift Values>> N :: 120.68(3.68) 1.C5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 K 0.13 C 0.12 Q 0.12 W 0.11 I 0.09 E 0.09 H 0.09 L 0.05 M 0.01 C Shift Assignments>> CA :: 58.334 CB :: 28.033 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.243 HA :: 4.378 HB2 :: 2.859 HB3 :: 2.859 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.884 Ave N Shift Values>> N :: 119.95(4.79) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 K 0.25 C 0.24 M 0.1 E 0.07 R 0.06 C Shift Assignments>> CA :: 55.943 CB :: 29.456 CG :: 33.277 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 :: 8.426 HA :: 4.212 HB2 :: 1.841 HB3 :: 1.777 HG2 :: 2.117 HG3 :: 2.032 HE21 :: 7.409 HE22 :: 6.840 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.347 NE2 :: 112.300 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.35 C 0.26 C Shift Assignments>> CA :: 57.460 CB :: 39.768 CD1 :: 132.115 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 :: 8.076 HA :: 4.691 HB2 :: 3.153 HB3 :: 2.578 HD1 :: 7.321 HD2 :: 7.321 HE1 :: 7.378 HE2 :: 7.378 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 :: 119.939 Ave N Shift Values>> N :: 120.69(4.18) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> CA :: 62.517 CB :: 32.243 CG1 :: 20.752 CG2 :: 20.287 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 :: 8.757 HA :: 4.034 HB :: 1.982 HG11 :: 0.958 HG12 :: 0.958 HG13 :: 0.958 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.576 Ave N Shift Values>> N :: 121.02(4.96) 1.C9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.15 Q 0.14 R 0.14 H 0.11 C 0.11 W 0.1 E 0.09 L 0.07 I 0.04 M 0.01 C Shift Assignments>> CA :: 56.958 CB :: 28.172 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.501 HA :: 4.634 HB2 :: 1.554 HB3 :: 1.177(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 129.160 Ave N Shift Values>> N :: 119.95(4.79) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 M 0.17 E 0.05 HN Overlap>> 1.Q44 1.Q44 C Shift Assignments>> CA :: 53.867 CB :: 34.492 CG :: 36.010 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 :: 8.426 HA :: 4.438 HB2 :: 1.850 HB3 :: 1.722 HG2 :: 2.024 HG3 :: 2.023 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 :: 119.060 Ave N Shift Values>> N :: 120.68(3.68) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.22 R 0.08 G 0.05 A 0.01 C Shift Assignments>> CA :: 54.040 CB :: 42.883 CG :: 27.179 CD1 :: 25.262 CD2 :: 24.100 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 :: 8.687 HA :: 4.917 HB2 :: 1.836 HB3 :: 1.661 HG :: 1.515 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.665 HD22 :: 0.665 HD23 :: 0.665 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 :: 123.045 Ave N Shift Values>> N :: 121.98(4.07) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.34 R 0.13 M 0.01 G 0.01 C Shift Assignments>> CA :: 53.781 CB :: 36.308 CG :: 24.525 CD :: 29.017 CE :: 41.780 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.234 HA :: 4.641 HB2 :: 1.610 HB3 :: 1.398 HG2 :: 1.249 HG3 :: 1.192 HD2 :: 1.550 HD3 :: 1.551 HE2 :: 2.930 HE3 :: 2.927 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.537 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.11 K 0.1 Q 0.07 I 0.02 HN Overlap>> 1.E4 1.E4 C Shift Assignments>> CA :: 55.222 CB :: 30.080 CG :: 36.010 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 :: 8.441 HA :: 4.480 HB2 :: 1.901 HB3 :: 1.791 HG2 :: 2.035 HG3 :: 2.034 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 :: 122.071 Ave N Shift Values>> N :: 120.68(3.68) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.28 R 0.07 A 0.05 C Shift Assignments>> CA :: 54.213 CB :: 41.757 CG :: 26.770 CD1 :: 23.070 CD2 :: 26.230 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 :: 8.879 HA :: 4.440 HB2 :: 1.569 HB3 :: 1.240 HG :: 1.497 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.607 HD22 :: 0.607 HD23 :: 0.607 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.489 Ave N Shift Values>> N :: 121.98(4.07) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 G 0.33 M 0.03 C 0.02 C Shift Assignments>> CA :: 48.331 CB :: 18.922 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.621 HA :: 4.875 HB1 :: 1.304 HB2 :: 1.304 HB3 :: 1.304 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.083 Ave N Shift Values>> N :: 123.23(3.7) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.39 P 0.32 C 0.12 I 0.04 W 0.04 K 0.01 R 0.01 E 0.01 C Shift Assignments>> CA :: 62.570 CB :: 32.502 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 :: 4.162 HB2 :: 1.986 HB3 :: 1.986 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.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.3 A 0.02 C Shift Assignments>> CA :: 58.365 CB :: 32.848 CG1 :: 19.275 CG2 :: 21.463 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 :: 8.581 HA :: 4.772 HB :: 2.365 HG11 :: 0.865 HG12 :: 0.865 HG13 :: 0.865 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 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 :: 120.637 Ave N Shift Values>> N :: 121.02(4.96) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> CA :: 63.555 CB :: 31.676 CG :: 27.618 CD :: 51.216 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 :: 4.656 HB2 :: 2.316 HB3 :: 2.076 HG2 :: 2.042 HG3 :: 1.867 HD2 :: 3.776 HD3 :: 3.748 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.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.21 A 0.11 K 0.08 M 0.07 P 0.03 R 0.01 C Shift Assignments>> CA :: 50.977 CB :: 23.506 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.232 HA :: 5.293 HB1 :: 1.160 HB2 :: 1.160 HB3 :: 1.160 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.703 Ave N Shift Values>> N :: 123.23(3.7) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.36 C 0.15 HN Overlap>> 1.F3 1.F3 C Shift Assignments>> CA :: 53.731 CB :: 45.131 CG :: 26.770 CD1 :: 24.730 CD2 :: 24.100 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 :: 8.337 HA :: 5.064 HB2 :: 1.498 HB3 :: 1.261 HG :: 1.536 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.672 HD22 :: 0.672 HD23 :: 0.672 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 :: 120.567 Ave N Shift Values>> N :: 121.98(4.07) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.32 C 0.23 A 0.01 C Shift Assignments>> CA :: 53.832 CB :: 46.169 CG :: 26.770 CD1 :: 24.730 CD2 :: 24.100 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 :: 9.192 HA :: 4.225 HB2 :: 1.658 HB3 :: 1.658 HG :: 1.448 HD11 :: 0.523 HD12 :: 0.523 HD13 :: 0.523 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 :: 119.409 Ave N Shift Values>> N :: 121.98(4.07) 1.I22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.H161 1.H161 C Shift Assignments>> CA :: 60.000 CB :: 40.245 CG1 :: 28.881 CG2 :: 17.523 CD1 :: 13.410 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 :: 8.227 HA :: 4.211 HB :: 0.238(S) HG12 :: 1.255 HG13 :: 0.717 HG21 :: 0.674 HG22 :: 0.674 HG23 :: 0.674 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 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 :: 118.924 Ave N Shift Values>> N :: 121.6(4.72) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.33 K 0.25 G 0.06 C Shift Assignments>> CA :: 53.954 CB :: 32.502 CG :: 28.108 CD :: 43.100 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 :: 8.753 HA :: 5.603 HB2 :: 1.821 HB3 :: 1.636 HG2 :: 1.544 HG3 :: 1.546 HD2 :: 3.251 HD3 :: 3.166 HE :: 7.554 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.579 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.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 HN Overlap>> 1.N138 1.N138 C Shift Assignments>> CA :: 60.000 CB :: 69.091 CG2 :: 19.281 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.014 HA :: 4.757 HB :: 4.153 HG21 :: 1.134 HG22 :: 1.134 HG23 :: 1.134 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 :: 119.704 Ave N Shift Values>> N :: 115.7(5.05) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 M 0.2 K 0.16 E 0.09 R 0.02 C Shift Assignments>> CA :: 54.819 CB :: 30.426 CG :: 33.720 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 :: 8.139 HA :: 5.133 HB2 :: 1.936 HB3 :: 1.936 HG2 :: 2.275 HG3 :: 2.213 HE21 :: 7.666 HE22 :: 6.772 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 :: 122.157 NE2 :: 111.827 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 C Shift Assignments>> CA :: 60.181 CB :: 69.177 CG2 :: 19.411 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 :: 8.857 HA :: 4.532 HB :: 3.723 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 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 :: 119.487 Ave N Shift Values>> N :: 115.7(5.05) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.1 L 0.08 C 0.08 C Shift Assignments>> CA :: 50.667 CB :: 21.328 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.332 HA :: 4.756 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.158 Ave N Shift Values>> N :: 123.23(3.7) 1.M28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.48 A 0.01 C Shift Assignments>> CA :: 58.192 CB :: 31.644 CG :: 32.070 CE :: 16.650 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.194 HA :: 4.289 HB2 :: 2.193 HB3 :: 2.193 HG2 :: 2.643 HG3 :: 2.626 HE1 :: 1.906 HE2 :: 1.906 HE3 :: 1.906 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 :: 121.110 Ave N Shift Values>> N :: 120.1(3.88) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T92 1.T92 C Shift Assignments>> CA :: 60.254 CB :: 62.344 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.386 HA :: 4.176 HB2 :: 3.989 HB3 :: 3.862 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.369 Ave N Shift Values>> N :: 116.3(3.95) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.13 K 0.06 Q 0.03 I 0.02 C Shift Assignments>> CA :: 55.424 CB :: 30.513 CG :: 36.367 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 :: 7.274 HA :: 4.447 HB2 :: 2.239 HB3 :: 1.881 HG2 :: 2.183 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 :: 119.258 Ave N Shift Values>> N :: 120.68(3.68) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.32 R 0.1 G 0.02 C Shift Assignments>> CA :: 57.926 CB :: 42.434 CG :: 26.770 CD1 :: 25.765 CD2 :: 24.886 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 :: 7.214 HA :: 3.480 HB2 :: 1.466 HB3 :: 1.171 HG :: 1.564 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.704 HD22 :: 0.704 HD23 :: 0.704 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 :: 119.881 Ave N Shift Values>> N :: 121.98(4.07) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.24 P 0.03 L 0.03 A 0.02 N 0.01 C Shift Assignments>> CA :: 47.466 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.465 HA2 :: 3.809 HA3 :: 3.590 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.605 Ave N Shift Values>> N :: 109.91(4.29) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.699 CB :: 62.603 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.093 HA :: 4.321 HB2 :: 3.885 HB3 :: 3.885 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 :: 117.090 Ave N Shift Values>> N :: 116.3(3.95) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.36 R 0.1 G 0.01 C Shift Assignments>> CA :: 57.846 CB :: 42.103 CG :: 26.770 CD1 :: 23.339 CD2 :: 25.878 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 :: 7.864 HA :: 4.130 HB2 :: 1.700 HB3 :: 1.571 HG :: 1.541 HD11 :: 1.029 HD12 :: 1.029 HD13 :: 1.029 HD21 :: 0.747 HD22 :: 0.747 HD23 :: 0.747 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 :: 125.096 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>> C 0.73 Y 0.13 F 0.12 C Shift Assignments>> CA :: 56.840 CB :: 36.440 CD1 :: 128.402 CE1 :: 130.480 CZ :: 128.741 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.622 HA :: 3.901 HB2 :: 3.128 HB3 :: 3.013 HD1 :: 6.089 HD2 :: 6.089 HE1 :: 6.769 HE2 :: 6.769 HZ :: 6.977 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 :: 119.108 Ave N Shift Values>> N :: 120.69(4.18) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.21 K 0.06 Q 0.03 M 0.02 C Shift Assignments>> CA :: 60.069 CB :: 29.757 CG :: 36.010 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 :: 8.026 HA :: 4.116 HB2 :: 2.244 HB3 :: 2.113 HG2 :: 2.386 HG3 :: 2.260 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 :: 118.798 Ave N Shift Values>> N :: 120.68(3.68) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.42 C 0.03 I 0.01 HN Overlap>> 1.A111 1.A111 C Shift Assignments>> CA :: 54.437 CB :: 18.843 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.621 HA :: 4.370 HB1 :: 1.575 HB2 :: 1.575 HB3 :: 1.575 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.487 Ave N Shift Values>> N :: 123.23(3.7) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.27 P 0.13 A 0.06 N 0.02 L 0.01 C Shift Assignments>> CA :: 47.880 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.667 HA2 :: 3.962 HA3 :: 3.949 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.087 Ave N Shift Values>> N :: 109.91(4.29) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 C Shift Assignments>> CA :: 61.969 CB :: 36.496 CD1 :: 132.249 CE1 :: 117.810 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.586 HA :: 4.656 HB2 :: 3.304 HB3 :: 3.190 HD1 :: 6.920 HD2 :: 6.920 HE1 :: 6.291 HE2 :: 6.291 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.685 Ave N Shift Values>> N :: 120.79(4.69) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 C 0.14 W 0.14 K 0.09 E 0.09 R 0.09 Q 0.07 H 0.06 P 0.01 V 0.01 L 0.01 M 0.01 C Shift Assignments>> CA :: 60.061 CB :: 28.523 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 :: 7.357 HA :: 4.412 HB2 :: 3.551 HB3 :: 3.514 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 :: 115.640 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.476 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 :: 120.822 Ave N Shift Values>> N :: 120.73(4.2) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.51 I 0.44 A 0.03 C Shift Assignments>> CD1 :: 14.900 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>> HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 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) 1.L43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E10 1.E10 H Shift Assignments>> H :: 8.429 HA :: 4.046 HG3 :: 2.175 HE21 :: 7.500 HE22 :: 6.736 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 :: 119.060 NE2 :: 113.252 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 K 0.08 G 0.01 C Shift Assignments>> CA :: 57.780 CB :: 42.028 CD1 :: 25.401 CD2 :: 23.651 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 :: 7.841 HA :: 4.188 HB2 :: 1.885 HB3 :: 1.838 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 HD21 :: 0.674 HD22 :: 0.674 HD23 :: 0.674 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 :: 123.663 Ave N Shift Values>> N :: 121.98(4.07) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.38 R 0.04 C Shift Assignments>> CA :: 57.932 CB :: 41.318 CG :: 26.770 CD1 :: 24.166 CD2 :: 25.548 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 :: 8.224 HA :: 3.755 HB2 :: 1.807 HB3 :: 1.176 HG :: 1.555 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 HD21 :: 0.468 HD22 :: 0.468 HD23 :: 0.468 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 :: 120.232 Ave N Shift Values>> N :: 121.98(4.07) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.3 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.251 CB :: 17.587 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.521 HA :: 4.249 HB1 :: 1.508 HB2 :: 1.508 HB3 :: 1.508 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.562 Ave N Shift Values>> N :: 123.23(3.7) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> CA :: 46.636 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.168 HA2 :: 4.077 HA3 :: 4.006 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.088 Ave N Shift Values>> N :: 109.91(4.29) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.25 M 0.17 K 0.16 E 0.14 R 0.01 C Shift Assignments>> CA :: 54.758 CB :: 30.247 CG :: 34.261 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 :: 7.473 HA :: 4.639 HB2 :: 2.330 HB3 :: 2.046 HG2 :: 2.537 HG3 :: 2.372 HE21 :: 7.645 HE22 :: 6.605 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 :: 116.559 NE2 :: 110.406 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> CA :: 46.342 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.004 HA2 :: 4.021 HA3 :: 3.920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.153 Ave N Shift Values>> N :: 109.91(4.29) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.28 R 0.14 G 0.02 C Shift Assignments>> CA :: 53.801 CB :: 36.653 CG :: 24.574 CD :: 28.464 CE :: 42.119 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 :: 7.930 HA :: 4.793 HB2 :: 1.803 HB3 :: 1.437 HG2 :: 1.332 HG3 :: 1.322 HD2 :: 1.514 HD3 :: 1.673 HE2 :: 2.969 HE3 :: 2.966 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 :: 118.185 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.065 CB :: 64.101 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.303 HA :: 4.777 HB2 :: 3.827 HB3 :: 3.646 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.683 Ave N Shift Values>> N :: 116.3(3.95) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 62.949 CB :: 33.281 CG :: 27.140 CD :: 50.092 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 :: 4.483 HB2 :: 2.184 HB3 :: 2.087 HG2 :: 2.127 HG3 :: 2.068 HD2 :: 3.861 HD3 :: 3.751 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.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.932 CB :: 63.814 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.107 HA :: 4.640 HB2 :: 3.794 HB3 :: 3.794 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.685 Ave N Shift Values>> N :: 116.3(3.95) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> CA :: 45.066 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.424 HA2 :: 4.260 HA3 :: 4.083 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.494 Ave N Shift Values>> N :: 109.91(4.29) 1.P56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.28 P 0.25 C 0.13 I 0.09 W 0.08 R 0.03 E 0.03 K 0.01 H 0.01 M 0.01 C Shift Assignments>> CA :: 61.998 CB :: 31.378 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 :: 4.455 HB2 :: 2.050 HB3 :: 2.050 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.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.2 Y 0.08 F 0.08 C Shift Assignments>> CA :: 54.905 CB :: 44.745 CD1 :: 132.546 CE1 :: 129.888 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 :: 8.124 HA :: 5.566 HB2 :: 3.269 HB3 :: 2.748 HD1 :: 7.101 HD2 :: 7.101 HE1 :: 6.902 HE2 :: 6.902 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 :: 111.654 Ave N Shift Values>> N :: 120.69(4.18) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 K 0.19 C 0.16 R 0.06 M 0.03 Q 0.01 H 0.01 P 0.01 C Shift Assignments>> CA :: 52.573 CB :: 24.751 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.580 HA :: 5.022 HB1 :: 1.413 HB2 :: 1.413 HB3 :: 1.413 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.233 Ave N Shift Values>> N :: 123.23(3.7) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 M 0.22 Q 0.18 K 0.14 E 0.06 H 0.03 W 0.02 R 0.02 N 0.01 Y 0.01 C Shift Assignments>> CA :: 54.183 CB :: 34.279 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.769 HA :: 5.462 HB2 :: 1.657 HB3 :: 1.657 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 :: 123.535 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.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> CA :: 56.622 CB :: 41.190 CD1 :: 133.141 CE1 :: 117.810 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.403 HA :: 5.133 HB2 :: 2.896 HB3 :: 2.871 HD1 :: 6.948 HD2 :: 6.948 HE1 :: 6.640 HE2 :: 6.640 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 :: 123.061 Ave N Shift Values>> N :: 120.79(4.69) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.31 C 0.29 C Shift Assignments>> CA :: 56.981 CB :: 39.163 CD1 :: 131.655 CE1 :: 129.096 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 :: 8.876 HA :: 4.870 HB2 :: 3.256 HB3 :: 3.162 HD1 :: 7.161 HD2 :: 7.161 HE1 :: 6.989 HE2 :: 6.989 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 :: 121.534 Ave N Shift Values>> N :: 120.69(4.18) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> CA :: 46.631 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.256 HA2 :: 4.003 HA3 :: 3.922 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.214 Ave N Shift Values>> N :: 109.91(4.29) 1.M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.46 A 0.05 HN Overlap>> 1.I134 1.I134 C Shift Assignments>> CA :: 56.635 CB :: 33.167 CG :: 32.070 CE :: 16.650 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 :: 8.332 HA :: 4.733 HB2 :: 1.688 HB3 :: 1.636 HG2 :: 2.097 HG3 :: 2.071 HE1 :: 1.564 HE2 :: 1.564 HE3 :: 1.564 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 :: 119.204 Ave N Shift Values>> N :: 120.1(3.88) 1.S65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.863 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 :: 117.577 Ave N Shift Values>> N :: 116.3(3.95) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.73 M 0.23 C 0.02 C Shift Assignments>> CA :: 52.743 CB :: 18.805 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.364 HB1 :: 1.471 HB2 :: 1.471 HB3 :: 1.471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.650 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.429 HA2 :: 4.061 HA3 :: 4.057 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.558 Ave N Shift Values>> N :: 109.91(4.29) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 60.959 CB :: 70.964 CG2 :: 21.332 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 :: 7.980 HA :: 4.811 HB :: 3.993 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.033 Ave N Shift Values>> N :: 115.7(5.05) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 C 0.29 F 0.24 C Shift Assignments>> CA :: 55.943 CB :: 40.719 CD1 :: 132.480 CE1 :: 132.299 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 :: 8.451 HA :: 5.093 HB2 :: 3.256 HB3 :: 3.192 HD1 :: 7.184 HD2 :: 7.184 HE1 :: 7.172 HE2 :: 7.172 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.703 Ave N Shift Values>> N :: 120.69(4.18) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.35 M 0.16 I 0.02 K 0.02 Q 0.01 HN Overlap>> 1.K96 1.K96 C Shift Assignments>> CA :: 55.770 CB :: 31.378 CG :: 36.845 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 :: 8.655 HA :: 4.967 HB2 :: 1.964 HB3 :: 1.964 HG2 :: 2.264 HG3 :: 2.091 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 :: 120.157 Ave N Shift Values>> N :: 120.68(3.68) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.09 M 0.09 I 0.04 K 0.03 C Shift Assignments>> CA :: 58.637 CB :: 36.359 CG1 :: 22.338 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 :: 8.952 HA :: 5.676 HB :: 2.084 HG11 :: 0.957 HG12 :: 0.957 HG13 :: 0.957 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 :: 121.045 Ave N Shift Values>> N :: 121.02(4.96) 1.E72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.002 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.154 Ave N Shift Values>> N :: 120.68(3.68) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.42 C 0.32 F 0.24 C Shift Assignments>> CA :: 60.685 CB :: 37.231 CD1 :: 131.556 CE1 :: 129.063 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>> HA :: 4.740 HB2 :: 3.167 HB3 :: 3.029 HD1 :: 7.112 HD2 :: 7.112 HE1 :: 6.997 HE2 :: 6.997 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) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> CA :: 46.082 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.831 HA2 :: 4.726 HA3 :: 4.001 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.935 Ave N Shift Values>> N :: 109.91(4.29) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 C 0.24 Y 0.18 G 0.16 C Shift Assignments>> CA :: 54.905 CB :: 43.487 CD1 :: 131.482 CD2 :: 131.482 CE1 :: 130.600 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 :: 8.426 HA :: 5.081 HB2 :: 3.215 HB3 :: 2.423 HD1 :: 7.316 HD2 :: 7.316 HE1 :: 6.941 HE2 :: 6.941 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.039 Ave N Shift Values>> N :: 120.69(4.18) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 62.084 CB :: 31.637 CG :: 27.140 CD :: 50.081 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 :: 5.241 HB2 :: 2.197 HB3 :: 1.901 HG2 :: 2.084 HG3 :: 2.072 HD2 :: 3.783 HD3 :: 3.767 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.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.21 V 0.06 C Shift Assignments>> CA :: 59.922 CB :: 36.481 CG1 :: 22.981 CG2 :: 18.318 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 :: 8.437 HA :: 4.675 HB :: 2.165 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 0.608 HG22 :: 0.608 HG23 :: 0.608 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 :: 116.090 Ave N Shift Values>> N :: 121.02(4.96) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 M 0.18 K 0.03 Q 0.03 I 0.02 C Shift Assignments>> CA :: 55.698 CB :: 31.089 CG :: 36.326 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 :: 8.152 HA :: 4.367 HB2 :: 2.079 HB3 :: 1.932 HG2 :: 2.318 HG3 :: 2.317 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 :: 119.654 Ave N Shift Values>> N :: 120.68(3.68) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 HN Overlap>> 1.G83 1.G83 C Shift Assignments>> CA :: 45.409 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.331 HA2 :: 3.968 HA3 :: 3.821 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.634 Ave N Shift Values>> N :: 109.91(4.29) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.650 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.468 HA2 :: 4.047 HA3 :: 3.760 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.606 Ave N Shift Values>> N :: 109.91(4.29) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> CA :: 61.652 CB :: 32.856 CG1 :: 21.293 CG2 :: 21.310 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 :: 7.447 HA :: 4.146 HB :: 1.921 HG11 :: 0.807 HG12 :: 0.807 HG13 :: 0.807 HG21 :: 0.803 HG22 :: 0.803 HG23 :: 0.803 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 :: 118.549 Ave N Shift Values>> N :: 121.02(4.96) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.29 E 0.23 Q 0.02 C Shift Assignments>> CA :: 55.078 CB :: 32.416 CG :: 36.010 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 :: 8.587 HA :: 4.501 HB2 :: 2.125 HB3 :: 1.846 HG2 :: 2.333 HG3 :: 2.251 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.826 Ave N Shift Values>> N :: 120.68(3.68) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.1 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 HN Overlap>> 1.G79 1.G79 C Shift Assignments>> CA :: 43.535 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.344 HA2 :: 4.037 HA3 :: 3.675 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.540 Ave N Shift Values>> N :: 109.91(4.29) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.797 CB :: 64.247 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.058 HA :: 4.383 HB2 :: 3.944 HB3 :: 3.584 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 :: 112.042 Ave N Shift Values>> N :: 116.3(3.95) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> CA :: 46.861 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.089 HA2 :: 4.016 HA3 :: 3.695 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.203 Ave N Shift Values>> N :: 109.91(4.29) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.3 K 0.23 L 0.06 G 0.04 C Shift Assignments>> CA :: 56.462 CB :: 29.734 CG :: 25.852 CD :: 43.100 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 :: 8.856 HA :: 4.356 HB2 :: 2.112 HB3 :: 1.835 HG2 :: 1.405 HG3 :: 1.400 HD2 :: 3.212 HD3 :: 3.129 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 :: 125.141 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.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> CA :: 61.738 CB :: 30.945 CG1 :: 20.809 CG2 :: 20.845 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 :: 7.881 HA :: 4.303 HB :: 2.227 HG11 :: 0.879 HG12 :: 0.879 HG13 :: 0.879 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 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 :: 121.092 Ave N Shift Values>> N :: 121.02(4.96) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.17 A 0.02 C Shift Assignments>> CA :: 58.508 CB :: 34.766 CG1 :: 20.793 CG2 :: 18.349 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.427 HA :: 4.848 HB :: 2.282 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 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 :: 122.572 Ave N Shift Values>> N :: 121.02(4.96) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> CA :: 60.441 CB :: 69.869 CG2 :: 22.160 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 :: 8.045 HA :: 4.842 HB :: 4.420 HG21 :: 1.248 HG22 :: 1.248 HG23 :: 1.248 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 :: 110.202 Ave N Shift Values>> N :: 115.7(5.05) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> CA :: 45.404 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.236 HA2 :: 4.238 HA3 :: 3.783 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.322 Ave N Shift Values>> N :: 109.91(4.29) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 C 0.28 A 0.28 L 0.09 C Shift Assignments>> CA :: 53.089 CB :: 46.836 CG :: 26.770 CD1 :: 22.016 CD2 :: 23.122 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 :: 8.297 HA :: 5.283 HB2 :: 1.464 HB3 :: 1.456 HG :: 1.540 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 HD21 :: 0.693 HD22 :: 0.693 HD23 :: 0.693 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 :: 124.145 Ave N Shift Values>> N :: 121.98(4.07) 1.T92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S29 1.S29 H Shift Assignments>> H :: 8.450 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 :: 111.353 Ave N Shift Values>> N :: 115.7(5.05) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> CA :: 63.555 CB :: 32.070 CG :: 27.140 CD :: 49.981 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 :: 3.903 HB2 :: 1.820 HB3 :: 0.905 HG2 :: 1.930 HG3 :: 1.920 HD2 :: 3.640 HD3 :: 3.630 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.S94 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 :: 55.251 CB :: 65.804 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.891 HA :: 4.502 HB2 :: 3.590 HB3 :: 3.412 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 :: 112.249 Ave N Shift Values>> N :: 116.3(3.95) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.13 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> CA :: 43.639 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.181 HA2 :: 4.548 HA3 :: 3.787 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.438 Ave N Shift Values>> N :: 109.91(4.29) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.2 HN Overlap>> 1.E70 1.E70 C Shift Assignments>> CA :: 56.116 CB :: 34.631 CG :: 25.823 CD :: 28.780 CE :: 41.780 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 :: 8.550 HA :: 4.790 HB2 :: 1.664 HB3 :: 1.497 HG2 :: 1.549 HG3 :: 1.277 HD2 :: 1.551 HD3 :: 1.550 HE2 :: 2.930 HE3 :: 2.931 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 :: 120.135 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.22 P 0.11 K 0.09 A 0.06 M 0.04 R 0.02 C Shift Assignments>> CA :: 50.753 CB :: 23.939 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.962 HA :: 5.024 HB1 :: 1.176 HB2 :: 1.176 HB3 :: 1.176 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.610 Ave N Shift Values>> N :: 123.23(3.7) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.1 C 0.07 L 0.06 C Shift Assignments>> CA :: 50.580 CB :: 21.178 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.471 HA :: 4.685 HB1 :: 1.352 HB2 :: 1.352 HB3 :: 1.352 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.489 Ave N Shift Values>> N :: 123.23(3.7) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> CA :: 56.289 CB :: 66.409 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.091 HA :: 5.692 HB2 :: 3.256 HB3 :: 3.256 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 :: 118.558 Ave N Shift Values>> N :: 116.3(3.95) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 HN Overlap>> 1.S152 1.S152 C Shift Assignments>> CA :: 57.759 CB :: 66.150 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.962 HA :: 4.624 HB2 :: 3.632 HB3 :: 3.028 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.075 Ave N Shift Values>> N :: 116.3(3.95) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.23 G 0.05 R 0.04 A 0.01 C Shift Assignments>> CA :: 54.386 CB :: 42.884 CG :: 26.770 CD1 :: 24.730 CD2 :: 23.839 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 :: 8.596 HA :: 4.588 HB2 :: 1.901 HB3 :: 1.311 HG :: 1.623 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.641 Ave N Shift Values>> N :: 121.98(4.07) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.39 C Shift Assignments>> CA :: 57.067 CB :: 41.002 CD1 :: 133.248 CE1 :: 117.810 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.070 HA :: 4.726 HB2 :: 3.065 HB3 :: 2.710 HD1 :: 7.075 HD2 :: 7.075 HE1 :: 6.598 HE2 :: 6.598 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 :: 129.582 Ave N Shift Values>> N :: 120.79(4.69) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> CA :: 59.094 CB :: 39.451 CG1 :: 27.650 CG2 :: 17.121 CD1 :: 13.410 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 :: 7.164 HA :: 4.829 HB :: 1.470 HG12 :: 1.300 HG13 :: 1.240 HG21 :: 0.533 HG22 :: 0.533 HG23 :: 0.533 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 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 :: 127.489 Ave N Shift Values>> N :: 121.6(4.72) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> CA :: 44.179 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.592 HA2 :: 4.256 HA3 :: 3.786 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.080 Ave N Shift Values>> N :: 109.91(4.29) 1.P105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.61 C 0.38 C Shift Assignments>> CA :: 54.905 CB :: 41.065 CD1 :: 132.540 CE1 :: 117.810 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>> HA :: 5.052 HB2 :: 3.578 HB3 :: 2.781 HD1 :: 6.355 HD2 :: 6.355 HE1 :: 6.760 HE2 :: 6.760 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) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> CA :: 45.996 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.921 HA2 :: 5.055 HA3 :: 4.747 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.044 Ave N Shift Values>> N :: 109.91(4.29) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 M 0.11 K 0.08 Q 0.05 I 0.02 C Shift Assignments>> CA :: 55.101 CB :: 30.182 CG :: 36.162 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 :: 7.194 HA :: 4.737 HB2 :: 2.646 HB3 :: 1.799 HG2 :: 2.239 HG3 :: 2.258 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 :: 117.953 Ave N Shift Values>> N :: 120.68(3.68) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> CA :: 64.297 CB :: 40.081 CG1 :: 27.197 CG2 :: 16.661 CD1 :: 15.011 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 :: 7.211 HA :: 2.991 HB :: 1.501 HG12 :: 1.004 HG13 :: 0.981 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 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 :: 121.252 Ave N Shift Values>> N :: 121.6(4.72) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.28 I 0.19 K 0.1 Q 0.05 M 0.01 C Shift Assignments>> CA :: 59.403 CB :: 28.686 CG :: 35.900 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 :: 8.604 HA :: 3.967 HB2 :: 2.010 HB3 :: 1.882 HG2 :: 2.198 HG3 :: 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 :: 122.732 Ave N Shift Values>> N :: 120.68(3.68) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.4 C 0.04 I 0.02 V 0.01 L 0.01 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> CA :: 55.104 CB :: 19.210 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.628 HA :: 4.224 HB1 :: 1.692 HB2 :: 1.692 HB3 :: 1.692 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.591 Ave N Shift Values>> N :: 123.23(3.7) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.23 C Shift Assignments>> CA :: 63.382 CB :: 31.118 CG1 :: 20.355 CG2 :: 23.405 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 :: 7.405 HA :: 3.364 HB :: 1.408 HG11 :: 0.628 HG12 :: 0.628 HG13 :: 0.628 HG21 :: 0.426 HG22 :: 0.426 HG23 :: 0.426 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 :: 117.751 Ave N Shift Values>> N :: 121.02(4.96) 1.Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 64.129 CB :: 37.925 CD1 :: 131.878 CE1 :: 118.124 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 :: 6.989 HA :: 4.630 HB2 :: 2.916 HB3 :: 2.899 HD1 :: 6.877 HD2 :: 6.877 HE1 :: 6.453 HE2 :: 6.453 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 :: 123.252 Ave N Shift Values>> N :: 120.79(4.69) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 L 0.1 K 0.09 D 0.09 I 0.05 N 0.01 R 0.01 C Shift Assignments>> CA :: 57.413 CB :: 40.460 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 :: 8.411 HA :: 4.361 HB2 :: 2.753 HB3 :: 2.647 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 :: 118.455 Ave N Shift Values>> N :: 120.73(4.2) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.37 C 0.03 I 0.03 V 0.01 C Shift Assignments>> CA :: 55.251 CB :: 18.663 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.305 HA :: 4.179 HB1 :: 1.455 HB2 :: 1.455 HB3 :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.563 Ave N Shift Values>> N :: 123.23(3.7) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.3 G 0.13 R 0.05 C Shift Assignments>> CA :: 57.932 CB :: 43.660 CG :: 26.770 CD1 :: 24.730 CD2 :: 24.100 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 :: 8.689 HA :: 4.228 HB2 :: 1.975 HB3 :: 1.165 HG :: 1.508 HD11 :: 0.535 HD12 :: 0.535 HD13 :: 0.535 HD21 :: 0.514 HD22 :: 0.514 HD23 :: 0.514 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 :: 120.988 Ave N Shift Values>> N :: 121.98(4.07) 1.M117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.29 I 0.04 C Shift Assignments>> CA :: 59.125 CB :: 35.703 CG :: 33.403 CE :: 17.088 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 :: 8.720 HA :: 3.972 HB2 :: 2.207 HB3 :: 2.033 HG2 :: 2.902 HG3 :: 2.885 HE1 :: 2.128 HE2 :: 2.128 HE3 :: 2.128 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 :: 117.988 Ave N Shift Values>> N :: 120.1(3.88) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.23 M 0.01 G 0.01 HN Overlap>> 1.D121 1.D121 C Shift Assignments>> CA :: 59.155 CB :: 32.258 CG :: 25.162 CD :: 28.780 CE :: 42.285 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 :: 7.824 HA :: 4.191 HB2 :: 2.050 HB3 :: 1.963 HG2 :: 1.611 HG3 :: 1.519 HD2 :: 1.784 HD3 :: 1.740 HE2 :: 3.067 HE3 :: 3.062 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 :: 120.157 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.7 C 0.28 C Shift Assignments>> CA :: 62.583 CB :: 29.840 CD1 :: 127.331 CE3 :: 118.952 CZ2 :: 114.305 CZ3 :: 120.553 CH2 :: 123.806 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.358 HA :: 4.228 HB2 :: 3.476 HB3 :: 3.467 HD1 :: 7.405 HE1 :: 10.180 HE3 :: 7.378 HZ2 :: 7.480 HZ3 :: 6.746 HH2 :: 7.111 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.824 NE1 :: 130.292 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> CA :: 67.793 CB :: 31.551 CG1 :: 24.757 CG2 :: 22.011 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.128 HA :: 3.569 HB :: 2.499 HG11 :: 1.374 HG12 :: 1.374 HG13 :: 1.374 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 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 :: 120.314 Ave N Shift Values>> N :: 121.02(4.96) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.17 Y 0.15 C 0.14 L 0.13 D 0.09 R 0.04 I 0.03 N 0.01 HN Overlap>> 1.K118 1.K118 C Shift Assignments>> CA :: 57.327 CB :: 41.065 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 :: 7.829 HA :: 4.494 HB2 :: 2.822 HB3 :: 2.882 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 :: 120.137 Ave N Shift Values>> N :: 120.73(4.2) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.18 C 0.15 D 0.13 L 0.12 K 0.09 I 0.03 N 0.03 R 0.01 HN Overlap>> 1.S152 1.H156 1.S152 1.H156 C Shift Assignments>> CA :: 56.808 CB :: 40.460 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 :: 8.788 HA :: 4.276 HB2 :: 2.660 HB3 :: 2.454 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 :: 120.075 Ave N Shift Values>> N :: 120.73(4.2) 1.N123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.27 N 0.27 C 0.13 Y 0.09 F 0.09 L 0.09 K 0.01 C Shift Assignments>> CA :: 53.826 CB :: 39.770 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 :: 7.356 HA :: 4.182 HB2 :: 1.683 HB3 :: 1.451(S) HD21 :: 6.210 HD22 :: 5.892 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 :: 113.986 ND2 :: 113.721 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> CA :: 46.633 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.555 HA2 :: 3.826 HA3 :: 3.688 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.572 Ave N Shift Values>> N :: 109.91(4.29) 1.F125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 C 0.27 Y 0.26 C Shift Assignments>> CA :: 55.703 CB :: 41.642 CD1 :: 130.655 CE1 :: 130.480 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 :: 7.558 HA :: 4.994 HB2 :: 3.439 HB3 :: 2.795 HD1 :: 7.026 HD2 :: 7.026 HE1 :: 7.122 HE2 :: 7.122 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.637 Ave N Shift Values>> N :: 120.69(4.18) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.2 R 0.17 C 0.12 D 0.11 K 0.02 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> CA :: 53.089 CB :: 43.747 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 :: 8.892 HA :: 5.061 HB2 :: 2.734 HB3 :: 2.647 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 :: 119.043 Ave N Shift Values>> N :: 120.73(4.2) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.25 R 0.05 G 0.04 C Shift Assignments>> CA :: 54.732 CB :: 42.709 CG :: 26.770 CD1 :: 24.730 CD2 :: 24.886 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 :: 8.789 HA :: 4.679 HB2 :: 1.865 HB3 :: 1.704 HG :: 1.540 HD11 :: 1.009 HD12 :: 1.009 HD13 :: 1.009 HD21 :: 1.019 HD22 :: 1.019 HD23 :: 1.019 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.545 Ave N Shift Values>> N :: 121.98(4.07) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.624 CB :: 64.420 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.498 HA :: 4.290 HB2 :: 3.331 HB3 :: 3.331 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 :: 115.792 Ave N Shift Values>> N :: 116.3(3.95) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> CA :: 45.044 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.610 HA2 :: 4.606 HA3 :: 3.751 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.079 Ave N Shift Values>> N :: 109.91(4.29) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.27 M 0.25 Q 0.02 K 0.01 C Shift Assignments>> CA :: 55.251 CB :: 32.156 CG :: 36.307 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 :: 7.713 HA :: 5.128 HB2 :: 1.729 HB3 :: 1.729 HG2 :: 1.987 HG3 :: 1.862 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 :: 120.251 Ave N Shift Values>> N :: 120.68(3.68) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.23 A 0.14 M 0.07 K 0.07 P 0.03 R 0.01 C Shift Assignments>> CA :: 50.667 CB :: 23.420 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.988 HA :: 5.375 HB1 :: 1.654 HB2 :: 1.654 HB3 :: 1.654 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.016 Ave N Shift Values>> N :: 123.23(3.7) 1.Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.46 G 0.01 C Shift Assignments>> CA :: 54.213 CB :: 41.584 CD1 :: 131.342 CE1 :: 118.157 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.327 HA :: 5.889 HB2 :: 3.259 HB3 :: 3.259 HD1 :: 6.848 HD2 :: 6.848 HE1 :: 6.429 HE2 :: 6.429 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 :: 123.752 Ave N Shift Values>> N :: 120.79(4.69) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.29 E 0.23 Q 0.03 K 0.01 C Shift Assignments>> CA :: 54.135 CB :: 31.949 CG :: 36.010 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 :: 9.661 HA :: 5.089 HB2 :: 1.540 HB3 :: 1.413 HG2 :: 2.060 HG3 :: 2.051 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 :: 129.538 Ave N Shift Values>> N :: 120.68(3.68) 1.I134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 HN Overlap>> 1.M64 1.M64 C Shift Assignments>> CA :: 60.232 CB :: 40.936 CG1 :: 27.650 CG2 :: 18.398 CD1 :: 13.410 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 :: 8.303 HA :: 3.993 HB :: 1.253 HG12 :: 0.480 HG13 :: 0.465 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 HD11 :: 0.573 HD12 :: 0.573 HD13 :: 0.573 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 :: 119.146 Ave N Shift Values>> N :: 121.6(4.72) 1.Y135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.35 H 0.06 W 0.01 C Shift Assignments>> CA :: 56.721 CB :: 35.789 CD1 :: 132.406 CE1 :: 118.861 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 :: 8.321 HA :: 5.025 HB2 :: 3.241 HB3 :: 2.727 HD1 :: 6.995 HD2 :: 6.995 HE1 :: 6.694 HE2 :: 6.694 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 :: 129.141 Ave N Shift Values>> N :: 120.79(4.69) 1.L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 R 0.11 A 0.05 L 0.05 G 0.04 C Shift Assignments>> CA :: 58.365 CB :: 42.276 CG :: 26.770 CD1 :: 24.730 CD2 :: 18.394 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 :: 7.441 HA :: 3.873 HB2 :: 1.674 HB3 :: 1.443 HG :: 1.540 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 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 :: 122.467 Ave N Shift Values>> N :: 121.98(4.07) 1.D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.07 C Shift Assignments>> CA :: 52.570 CB :: 45.972 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 :: 7.495 HA :: 5.104 HB2 :: 2.859 HB3 :: 2.495 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 :: 113.089 Ave N Shift Values>> N :: 120.73(4.2) 1.N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 C 0.19 I 0.09 D 0.06 L 0.05 K 0.02 N 0.01 E 0.01 HN Overlap>> 1.T24 1.T24 C Shift Assignments>> CA :: 57.846 CB :: 39.595 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 :: 8.969 HA :: 5.086 HB2 :: 2.971 HB3 :: 2.863 HD21 :: 7.850 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 :: 119.704 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> CA :: 64.160 CB :: 31.810 CG :: 26.516 CD :: 49.981 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 :: 4.503 HB2 :: 2.308 HB3 :: 2.114 HG2 :: 1.930 HG3 :: 1.920 HD2 :: 3.638 HD3 :: 3.628 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.A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.31 C 0.02 HN Overlap>> 1.H163 1.H166 1.H163 1.H166 1.H164 1.H165 1.H164 1.H165 C Shift Assignments>> CA :: 53.520 CB :: 18.749 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.230 HA :: 4.295 HB1 :: 1.422 HB2 :: 1.422 HB3 :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.543 Ave N Shift Values>> N :: 123.23(3.7) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.32 E 0.21 Q 0.06 K 0.01 C Shift Assignments>> CA :: 55.379 CB :: 32.386 CG :: 35.465 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 :: 7.532 HA :: 4.546 HB2 :: 2.201 HB3 :: 1.887 HG2 :: 2.153 HG3 :: 2.144 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 :: 113.667 Ave N Shift Values>> N :: 120.68(3.68) 1.T142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 62.084 CB :: 70.671 CG2 :: 21.258 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 :: 7.305 HA :: 4.309 HB :: 3.529 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 117.109 Ave N Shift Values>> N :: 115.7(5.05) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> CA :: 50.840 CB :: 17.625 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.673 HA :: 4.407 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.943 Ave N Shift Values>> N :: 123.23(3.7) 1.P144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.91 C 0.08 C Shift Assignments>> CA :: 65.025 CB :: 31.810 CG :: 27.140 CD :: 49.917 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 :: 4.066 HB2 :: 2.326 HB3 :: 1.966 HG2 :: 2.091 HG3 :: 2.085 HD2 :: 3.846 HD3 :: 3.750 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.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 N 0.21 C 0.14 Y 0.11 F 0.11 L 0.1 K 0.02 C Shift Assignments>> CA :: 54.491 CB :: 39.787 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 :: 7.939 HA :: 4.243 HB2 :: 2.675 HB3 :: 2.599 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 :: 108.531 Ave N Shift Values>> N :: 120.73(4.2) 1.Q146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 M 0.21 K 0.17 E 0.06 R 0.02 C Shift Assignments>> CA :: 54.162 CB :: 30.333 CG :: 33.463 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 :: 7.755 HA :: 4.176 HB2 :: 2.255 HB3 :: 1.645 HG2 :: 2.190 HG3 :: 2.181 HE21 :: 7.358 HE22 :: 6.922 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 :: 116.033 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.29 R 0.08 G 0.04 C Shift Assignments>> CA :: 56.149 CB :: 42.795 CG :: 26.659 CD1 :: 24.056 CD2 :: 25.217 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 :: 6.617 HA :: 3.830 HB2 :: 1.777 HB3 :: 1.480 HG :: 1.590 HD11 :: 1.182 HD12 :: 1.182 HD13 :: 1.182 HD21 :: 0.673 HD22 :: 0.673 HD23 :: 0.673 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 :: 121.560 Ave N Shift Values>> N :: 121.98(4.07) 1.R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 C 0.17 K 0.17 Q 0.1 R 0.09 H 0.09 W 0.07 E 0.05 V 0.01 C Shift Assignments>> CA :: 55.424 CB :: 32.593 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.193 HA :: 5.254 HB2 :: 2.140 HB3 :: 2.070 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 :: 125.562 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.T149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 62.562 CB :: 72.464 CG2 :: 21.297 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.399 HA :: 5.098 HB :: 4.108 HG21 :: 1.122 HG22 :: 1.122 HG23 :: 1.122 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 :: 120.821 Ave N Shift Values>> N :: 115.7(5.05) 1.R150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.34 K 0.17 M 0.02 Q 0.01 C Shift Assignments>> CA :: 55.510 CB :: 30.643 CG :: 27.143 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.005 HA :: 4.867 HB2 :: 1.580 HB3 :: 1.580 HG2 :: 1.298 HG3 :: 1.290 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.700 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.V151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> CA :: 62.171 CB :: 33.460 CG1 :: 21.815 CG2 :: 20.163 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 :: 8.796 HA :: 4.335 HB :: 1.512 HG11 :: 0.715 HG12 :: 0.715 HG13 :: 0.715 HG21 :: 0.150 HG22 :: 0.150 HG23 :: 0.150 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.491 Ave N Shift Values>> N :: 121.02(4.96) 1.S152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 HN Overlap>> 1.S100 1.D122 1.S100 1.D122 C Shift Assignments>> CA :: 56.462 CB :: 65.993 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.881 HA :: 5.692 HB2 :: 3.800 HB3 :: 3.770 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.075 Ave N Shift Values>> N :: 116.3(3.95) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.2 R 0.15 C 0.11 K 0.07 G 0.05 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 52.873 CB :: 42.867 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 :: 9.429 HA :: 4.989 HB2 :: 1.714 HB3 :: 1.649 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 :: 123.639 Ave N Shift Values>> N :: 121.98(4.07) 1.M154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.38 A 0.1 C Shift Assignments>> CA :: 54.569 CB :: 29.468 CG :: 31.129 CE :: 15.338 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 :: 7.591 HA :: 4.727 HB2 :: 2.187 HB3 :: 2.114 HG2 :: 2.735 HG3 :: 2.715 HE1 :: 1.613 HE2 :: 1.613 HE3 :: 1.613 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 :: 119.591 Ave N Shift Values>> N :: 120.1(3.88) 1.L155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.22 R 0.06 G 0.05 A 0.03 C Shift Assignments>> CA :: 53.809 CB :: 42.795 CG :: 26.770 CD1 :: 23.505 CD2 :: 25.408 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 :: 8.608 HA :: 5.137 HB2 :: 1.567 HB3 :: 1.463 HG :: 1.541 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.374 HD22 :: 0.374 HD23 :: 0.374 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 :: 122.078 Ave N Shift Values>> N :: 121.98(4.07) 1.H156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.33 C 0.29 HN Overlap>> 1.D122 1.D122 C Shift Assignments>> CA :: 55.515 CB :: 31.118 CD2 :: 119.840 CE1 :: 136.050 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 :: 8.689 HA :: 4.692 HB2 :: 3.003 HB3 :: 2.747 HD2 :: 7.080 HE1 :: 8.080 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.048 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.16 Q 0.05 K 0.05 I 0.02 C Shift Assignments>> CA :: 56.301 CB :: 30.859 CG :: 36.010 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 :: 8.634 HA :: 4.386 HB2 :: 2.021 HB3 :: 1.923 HG2 :: 2.229 HG3 :: 2.225 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.081 Ave N Shift Values>> N :: 120.68(3.68) 1.S158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.880 CB :: 63.728 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.578 HA :: 4.425 HB2 :: 3.908 HB3 :: 3.844 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 :: 118.075 Ave N Shift Values>> N :: 116.3(3.95) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.3 A 0.02 G 0.01 R 0.01 C Shift Assignments>> CA :: 55.389 CB :: 42.017 CG :: 26.770 CD1 :: 23.394 CD2 :: 23.343 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 :: 8.474 HA :: 4.292 HB2 :: 1.595 HB3 :: 1.547 HG :: 1.540 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 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 :: 124.642 Ave N Shift Values>> N :: 121.98(4.07) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.13 R 0.13 W 0.13 Q 0.13 C 0.11 K 0.09 M 0.06 I 0.01 C Shift Assignments>> CA :: 56.627 CB :: 30.000 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 :: 8.295 HA :: 4.748 HB2 :: 1.895 HB3 :: 1.807 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 :: 119.987 Ave N Shift Values>> N :: 120.68(3.68) 1.H161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.34 C 0.27 HN Overlap>> 1.I22 1.I22 C Shift Assignments>> CA :: 55.706 CB :: 30.000 CD2 :: 119.840 CE1 :: 136.050 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 :: 8.227 HA :: 4.581 HB2 :: 3.118 HB3 :: 3.118 HD2 :: 7.080 HE1 :: 8.080 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 :: 119.015 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.35 C 0.29 C Shift Assignments>> CA :: 57.154 CB :: 30.000 CD2 :: 119.840 CE1 :: 136.050 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 :: 8.139 HA :: 4.620 HB2 :: 3.120 HB3 :: 3.110 HD2 :: 7.080 HE1 :: 8.080 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.064 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.28 HN Overlap>> 1.H166 1.A140 1.H164 1.H165 1.H166 1.A140 1.H164 1.H165 C Shift Assignments>> CA :: 56.370 CB :: 29.950 CD2 :: 119.840 CE1 :: 136.050 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 :: 8.250 HA :: 4.620 HB2 :: 3.120 HB3 :: 3.110 HD2 :: 7.080 HE1 :: 8.080 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 :: 119.440 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.28 HN Overlap>> 1.H163 1.H166 1.A140 1.H163 1.H166 1.A140 1.H165 1.H165 C Shift Assignments>> CA :: 56.370 CB :: 29.950 CD2 :: 119.840 CE1 :: 136.050 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 :: 8.250 HA :: 4.620 HB2 :: 3.120 HB3 :: 3.110 HD2 :: 7.080 HE1 :: 8.080 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 :: 119.440 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.28 HN Overlap>> 1.H163 1.H166 1.A140 1.H164 1.H163 1.H166 1.A140 1.H164 C Shift Assignments>> CA :: 56.370 CB :: 29.950 CD2 :: 119.840 CE1 :: 136.050 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 :: 8.250 HA :: 4.620 HB2 :: 3.120 HB3 :: 3.110 HD2 :: 7.080 HE1 :: 8.080 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 :: 119.440 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.28 HN Overlap>> 1.H163 1.H163 1.A140 1.H164 1.H165 1.A140 1.H164 1.H165 C Shift Assignments>> CA :: 56.370 CB :: 29.950 CD2 :: 119.840 CE1 :: 136.050 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 :: 8.250 HA :: 4.620 HB2 :: 3.120 HB3 :: 3.110 HD2 :: 7.080 HE1 :: 8.080 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 :: 119.440 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 163 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 158 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 166 #Suspicious: 0 C Shift Results: #Consistent: 488 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1031 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 155 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.C9 HB3 = 1.177(S), Expected = 2.98, Std = 0.4500, ChiSquare = 6.1582e-05 1.I22 HB = 0.238(S), Expected = 1.80, Std = 0.3100, ChiSquare = 4.6868e-07 1.N123 HB3 = 1.451(S), Expected = 2.78, Std = 0.3400, ChiSquare = 9.2747e-05