Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.33 M 0.04 Y 0.03 E 0.02 D 0.02 F 0.01 P 0.01 C Shift Assignments>> C :: 173.749 CA :: 50.963 CB :: 36.567 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>> HA :: 4.623 HB2 :: 2.763 HB3 :: 2.688 HD21 :: 6.850 HD22 :: 7.523 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>> ND2 :: 112.293 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.38 L 0.33 C 0.23 R 0.03 C Shift Assignments>> C :: 174.362 CA :: 54.166 CB :: 28.378 CG :: 24.776 CD :: 41.026 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>> HA :: 4.228 HB2 :: 1.793 HB3 :: 1.711 HG2 :: 1.552 HG3 :: 1.552 HD2 :: 3.129 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) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 C 0.37 L 0.06 C Shift Assignments>> C :: 175.363 CA :: 53.023 CB :: 39.775 CG :: 24.764 CD1 :: 21.217 CD2 :: 22.571 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 :: 8.177 HA :: 4.263 HB2 :: 1.590 HB3 :: 1.518 HG :: 1.538 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.371 Ave N Shift Values>> N :: 121.98(4.07) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 C 0.33 L 0.06 C Shift Assignments>> C :: 175.332 CA :: 52.716 CB :: 40.036 CG :: 24.705 CD1 :: 21.155 CD2 :: 22.784 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 :: 8.055 HA :: 4.323 HB2 :: 1.563 HB3 :: 1.563 HG :: 1.564 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 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 :: 122.488 Ave N Shift Values>> N :: 121.98(4.07) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 171.882 CA :: 55.956 CB :: 61.594 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.082 HA :: 4.373 HB2 :: 3.743 HB3 :: 3.743 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 :: 116.472 Ave N Shift Values>> N :: 116.3(3.95) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 A 0.28 M 0.03 K 0.03 R 0.02 HN Overlap>> 1.Y134 1.Y134 C Shift Assignments>> C :: 173.403 CA :: 53.121 CB :: 31.694 CG :: 22.242 CD :: 26.835 CE :: 39.818 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 :: 8.160 HA :: 4.386 HB2 :: 1.786 HB3 :: 1.642 HG2 :: 1.347 HG3 :: 1.347 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.935 HE3 :: 2.935 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.796 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 Y 0.27 H 0.02 C Shift Assignments>> C :: 172.983 CA :: 57.684 CB :: 36.012 CD1 :: 130.823 CD2 :: 130.823 CE1 :: 115.547 CE2 :: 115.547 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 :: 8.306 HA :: 3.745 HB2 :: 2.839 HB3 :: 2.744 HD1 :: 6.646 HD2 :: 6.646 HE1 :: 6.495 HE2 :: 6.495 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.960 Ave N Shift Values>> N :: 120.79(4.69) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.18 D 0.12 N 0.1 L 0.03 F 0.01 C Shift Assignments>> CA :: 48.217 CB :: 41.338 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 :: 8.398 HA :: 5.152 HB2 :: 2.408 HB3 :: 2.603 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 :: 129.179 Ave N Shift Values>> N :: 120.73(4.2) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 P 0.48 C Shift Assignments>> C :: 177.399 CA :: 62.466 CB :: 29.988 CG :: 25.141 CD :: 49.422 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 :: 4.163 HB2 :: 1.975 HB3 :: 2.435 HG2 :: 2.107 HG3 :: 2.072 HD2 :: 4.083 HD3 :: 3.967 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.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.21 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.410 CA :: 56.393 CB :: 25.298 CG :: 31.792 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 :: 8.386 HA :: 4.107 HB2 :: 2.111 HB3 :: 2.070 HG2 :: 2.334 HG3 :: 2.296 HE21 :: 7.638 HE22 :: 6.802 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.959 NE2 :: 112.420 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.23 A 0.11 R 0.02 HN Overlap>> 1.V108 1.V108 C Shift Assignments>> C :: 176.625 CA :: 54.926 CB :: 29.201 CG :: 22.421 CD :: 25.580 CE :: 39.814 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 :: 7.221 HA :: 4.005 HB2 :: 1.687 HB3 :: 1.431 HG2 :: 1.330 HG3 :: 1.245 HD2 :: 1.448 HD3 :: 1.363 HE2 :: 2.749 HE3 :: 2.818 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 :: 118.004 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.38 Q 0.22 K 0.16 E 0.1 R 0.06 I 0.04 M 0.01 C Shift Assignments>> C :: 175.354 CA :: 57.412 CB :: 26.863 CG :: 34.543 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 :: 7.209 HA :: 3.418 HB2 :: 1.428 HB3 :: 2.023 HG2 :: 1.536(S) HG3 :: 0.971(A) 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 :: 118.846 Ave N Shift Values>> N :: 120.68(3.68) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.25 C 0.01 I 0.01 HN Overlap>> 1.Q107 1.Q107 C Shift Assignments>> C :: 178.244 CA :: 53.393 CB :: 15.311 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.353 HA :: 3.990 HB1 :: 1.473 HB2 :: 1.473 HB3 :: 1.473 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.301 Ave N Shift Values>> N :: 123.23(3.7) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.25 K 0.22 R 0.11 E 0.07 M 0.01 I 0.01 C Shift Assignments>> C :: 178.125 CA :: 57.098 CB :: 27.469 CG :: 33.784 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 :: 7.531 HA :: 3.994 HB2 :: 2.049 HB3 :: 1.950 HG2 :: 2.319 HG3 :: 2.069 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 :: 118.054 Ave N Shift Values>> N :: 120.68(3.68) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.4 A 0.17 C Shift Assignments>> C :: 177.146 CA :: 55.490 CB :: 41.440 CG :: 24.917 CD1 :: 24.693 CD2 :: 21.479 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 :: 8.203 HA :: 4.334 HB2 :: 1.362 HB3 :: 2.163 HG :: 1.795 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 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 :: 120.041 Ave N Shift Values>> N :: 121.98(4.07) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.28 L 0.22 R 0.09 HN Overlap>> 1.E95 1.E95 C Shift Assignments>> C :: 175.724 CA :: 58.355 CB :: 27.917 CG :: 26.840 CD :: 40.937 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 :: 3.851 HB2 :: 2.103 HB3 :: 1.971 HG2 :: 1.542 HG3 :: 1.794 HD2 :: 3.160 HD3 :: 3.309 HE :: 8.331 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.647 NE :: 85.497 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 0.88 C 0.08 S 0.03 C Shift Assignments>> C :: 175.471 CA :: 64.082 CB :: 66.706 CG2 :: 19.642 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 :: 7.920 HA :: 3.962 HB :: 4.189 HG21 :: 1.262 HG22 :: 1.262 HG23 :: 1.262 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.681 Ave N Shift Values>> N :: 115.7(5.05) 1.W25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 W 0.01 C Shift Assignments>> C :: 175.632 CA :: 58.551 CB :: 26.171 CD1 :: 124.932 CE3 :: 118.458 CZ2 :: 111.409 CZ3 :: 118.533 CH2 :: 120.843 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.874 HA :: 4.450 HB2 :: 3.318 HB3 :: 3.505 HD1 :: 7.313 HE1 :: 10.274 HE3 :: 7.493 HZ2 :: 7.094 HZ3 :: 6.854 HH2 :: 6.819 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 :: 122.959 NE1 :: 131.289 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 178.510 CA :: 63.279 CB :: 36.605 CG1 :: 27.449 CG2 :: 15.197 CD1 :: 11.313 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.066 HA :: 2.887 HB :: 1.718 HG12 :: 0.629 HG13 :: 2.300 HG21 :: 0.475 HG22 :: 0.475 HG23 :: 0.475 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 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 :: 117.356 Ave N Shift Values>> N :: 121.6(4.72) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.18 Q 0.12 E 0.1 I 0.08 R 0.03 M 0.01 C Shift Assignments>> C :: 178.176 CA :: 57.889 CB :: 26.361 CG :: 35.151 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 :: 8.965 HA :: 3.920 HB2 :: 2.004 HB3 :: 1.881 HG2 :: 2.674 HG3 :: 2.674 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 :: 120.668 Ave N Shift Values>> N :: 120.68(3.68) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.021 CA :: 44.736 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.872 HA2 :: 3.878 HA3 :: 3.762 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.378 Ave N Shift Values>> N :: 109.91(4.29) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.36 A 0.15 C Shift Assignments>> C :: 176.922 CA :: 54.672 CB :: 41.312 CG :: 25.664 CD1 :: 22.646 CD2 :: 22.099 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 :: 7.478 HA :: 4.115 HB2 :: 0.933 HB3 :: 1.260 HG :: 1.305 HD11 :: 0.409 HD12 :: 0.409 HD13 :: 0.409 HD21 :: 0.637 HD22 :: 0.637 HD23 :: 0.637 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.903 Ave N Shift Values>> N :: 121.98(4.07) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 C Shift Assignments>> C :: 173.769 CA :: 60.962 CB :: 69.031 CG2 :: 19.117 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.519 HA :: 3.899 HB :: 3.879 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 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 :: 102.710 Ave N Shift Values>> N :: 115.7(5.05) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 171.497 CA :: 43.704 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.111 HA2 :: 3.949 HA3 :: 3.756 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.707 Ave N Shift Values>> N :: 109.91(4.29) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 C 0.15 L 0.02 C Shift Assignments>> C :: 172.911 CA :: 50.782 CB :: 41.190 CG :: 24.419 CD1 :: 24.455 CD2 :: 19.829 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 :: 7.547 HA :: 4.458 HB2 :: 1.187 HB3 :: 1.468 HG :: 1.374 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 HD21 :: 0.738 HD22 :: 0.738 HD23 :: 0.738 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 :: 120.583 Ave N Shift Values>> N :: 121.98(4.07) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 C 0.08 C Shift Assignments>> C :: 173.050 CA :: 54.481 CB :: 61.610 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.888 HA :: 4.393 HB2 :: 3.605 HB3 :: 3.538 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 :: 112.279 Ave N Shift Values>> N :: 116.3(3.95) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 174.580 CA :: 62.060 CB :: 37.021 CG1 :: 27.494 CG2 :: 16.268 CD1 :: 13.040 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.682 HA :: 3.286 HB :: 1.669 HG12 :: 0.613 HG13 :: 1.774 HG21 :: 0.656 HG22 :: 0.656 HG23 :: 0.656 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.181 Ave N Shift Values>> N :: 121.6(4.72) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.18 D 0.17 F 0.12 Y 0.08 C 0.07 I 0.04 R 0.04 N 0.03 C Shift Assignments>> C :: 171.264 CA :: 41.538 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.279 HA2 :: 4.323 HA3 :: 3.622 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.480 Ave N Shift Values>> N :: 109.91(4.29) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 G 0.47 C Shift Assignments>> C :: 173.912 CA :: 62.684 CB :: 29.865 CG :: 24.662 CD :: 47.036 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 :: 4.231 HB2 :: 1.905 HB3 :: 2.208 HG2 :: 1.945 HG3 :: 1.907 HD2 :: 3.591 HD3 :: 3.445 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.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.27 C 0.17 L 0.1 F 0.03 K 0.02 Y 0.02 R 0.01 HN Overlap>> 1.M88 1.M88 C Shift Assignments>> C :: 173.834 CA :: 50.225 CB :: 41.103 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 :: 7.705 HA :: 4.837 HB2 :: 2.325 HB3 :: 2.630 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 :: 118.019 Ave N Shift Values>> N :: 120.73(4.2) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 F 0.24 Y 0.02 C Shift Assignments>> C :: 172.879 CA :: 59.932 CB :: 38.128 CD1 :: 130.500 CD2 :: 130.500 CE1 :: 128.145 CE2 :: 128.145 CZ :: 126.134 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.049 HA :: 3.700 HB2 :: 3.010 HB3 :: 2.877 HD1 :: 6.927 HD2 :: 6.927 HE1 :: 6.855 HE2 :: 6.855 HZ :: 6.855 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 :: 130.147 Ave N Shift Values>> N :: 120.69(4.18) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.26 V 0.12 M 0.1 R 0.06 HN Overlap>> 1.S141 1.S141 C Shift Assignments>> C :: 176.439 CA :: 58.322 CB :: 23.535 CG :: 31.270 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 :: 8.218 HA :: 3.446 HB2 :: 2.396 HB3 :: 1.903 HG2 :: 2.930 HG3 :: 2.326 HE21 :: 7.107 HE22 :: 5.933 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 :: 116.759 NE2 :: 106.188 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 K 0.11 R 0.05 L 0.02 M 0.01 HN Overlap>> 1.M52 1.M52 C Shift Assignments>> C :: 177.996 CA :: 57.081 CB :: 30.409 CG :: 23.529 CD :: 26.904 CE :: 39.796 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 :: 8.153 HA :: 3.475 HB2 :: 1.624 HB3 :: 1.582 HG2 :: 1.441 HG3 :: 1.276 HD2 :: 1.572 HD3 :: 1.496 HE2 :: 2.907 HE3 :: 2.907 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 :: 118.031 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G41 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>> C :: 173.321 CA :: 43.640 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.210 HA2 :: 3.932 HA3 :: 4.113 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.267 Ave N Shift Values>> N :: 109.91(4.29) 1.L42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.8 C 0.18 C Shift Assignments>> C :: 177.001 CA :: 51.524 CB :: 41.215 CG :: 23.417 CD1 :: 23.272 CD2 :: 20.162 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 :: 6.992 HA :: 4.498 HB2 :: 1.382 HB3 :: 1.140 HG :: 1.263 HD11 :: -0.205(S) HD12 :: -0.205(S) HD13 :: -0.205(S) HD21 :: 0.389 HD22 :: 0.389 HD23 :: 0.389 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.151 Ave N Shift Values>> N :: 121.98(4.07) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.03 R 0.03 K 0.02 L 0.01 C Shift Assignments>> C :: 171.524 CA :: 58.499 CB :: 30.119 CG :: 22.148 CD :: 27.635 CE :: 39.560 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 :: 7.507 HA :: 3.717 HB2 :: 1.882 HB3 :: 1.739 HG2 :: 1.147 HG3 :: 1.366 HD2 :: 1.417 HD3 :: 1.279 HE2 :: 2.371 HE3 :: 2.371 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.108 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.16 D 0.14 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> C :: 175.867 CA :: 51.795 CB :: 38.533 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 :: 8.260 HA :: 4.654 HB2 :: 2.503 HB3 :: 3.149 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 :: 109.989 Ave N Shift Values>> N :: 120.73(4.2) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.364 CA :: 45.131 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.794 HA2 :: 3.573 HA3 :: 4.053 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.794 Ave N Shift Values>> N :: 109.91(4.29) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.12 S 0.08 HN Overlap>> 1.S77 1.S77 C Shift Assignments>> C :: 176.418 CA :: 64.366 CB :: 65.996 CG2 :: 19.724 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 :: 8.824 HA :: 3.569 HB :: 3.791 HG21 :: 1.075 HG22 :: 1.075 HG23 :: 1.075 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.958 Ave N Shift Values>> N :: 115.7(5.05) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 C Shift Assignments>> C :: 175.912 CA :: 64.697 CB :: 34.620 CG1 :: 27.045 CG2 :: 14.781 CD1 :: 11.073 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.978 HA :: 3.297 HB :: 1.489 HG12 :: 0.755 HG13 :: 1.776 HG21 :: 0.393 HG22 :: 0.393 HG23 :: 0.393 HD11 :: 0.545 HD12 :: 0.545 HD13 :: 0.545 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 :: 125.145 Ave N Shift Values>> N :: 121.6(4.72) 1.L48 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 A 0.38 V 0.01 C Shift Assignments>> C :: 176.621 CA :: 55.458 CB :: 35.992(S) CG :: 23.662 CD1 :: 23.128 CD2 :: 19.203 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 :: 8.772 HA :: 3.530 HB2 :: 0.848 HB3 :: -0.335(S) HG :: 1.546 HD11 :: 0.421 HD12 :: 0.421 HD13 :: 0.421 HD21 :: 0.413 HD22 :: 0.413 HD23 :: 0.413 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 :: 119.262 Ave N Shift Values>> N :: 121.98(4.07) 1.C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 I 0.42 C 0.06 V 0.01 C Shift Assignments>> C :: 174.077 CA :: 63.904 CB :: 26.128 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.068 HA :: 3.975 HB2 :: 2.813 HB3 :: 2.240 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 :: 115.370 Ave N Shift Values>> N :: 119.95(4.79) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 S 0.37 T 0.22 HN Overlap>> 1.K62 1.K62 C Shift Assignments>> C :: 174.308 CA :: 65.593 CB :: 65.032 CG2 :: 18.328 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 :: 7.657 HA :: 4.227 HB :: 3.749 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 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 :: 116.749 Ave N Shift Values>> N :: 115.7(5.05) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 L 0.23 A 0.03 C Shift Assignments>> C :: 176.034 CA :: 56.254 CB :: 39.606 CG :: 24.422 CD1 :: 22.895 CD2 :: 24.008 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 :: 8.329 HA :: 3.364 HB2 :: 2.269 HB3 :: 0.992 HG :: 1.196 HD11 :: 0.116 HD12 :: 0.116 HD13 :: 0.116 HD21 :: 0.659 HD22 :: 0.659 HD23 :: 0.659 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 :: 123.266 Ave N Shift Values>> N :: 121.98(4.07) 1.M52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.29 A 0.07 HN Overlap>> 1.K40 1.K40 C Shift Assignments>> C :: 175.999 CA :: 53.922 CB :: 29.216 CG :: 30.390 CE :: 14.513 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 :: 8.126 HA :: 4.356 HB2 :: 2.197 HB3 :: 2.036 HG2 :: 2.558 HG3 :: 2.558 HE1 :: 1.378 HE2 :: 1.378 HE3 :: 1.378 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 :: 118.078 Ave N Shift Values>> N :: 120.1(3.88) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 N 0.3 M 0.11 E 0.06 K 0.03 Y 0.03 Q 0.02 F 0.01 D 0.01 C Shift Assignments>> C :: 176.017 CA :: 52.085 CB :: 35.874 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 :: 7.581 HA :: 4.840 HB2 :: 2.770 HB3 :: 2.684 HD21 :: 7.369 HD22 :: 7.066 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.331 ND2 :: 109.238 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 A 0.23 L 0.22 R 0.01 C Shift Assignments>> C :: 176.773 CA :: 54.476 CB :: 28.877 CG :: 21.869 CD :: 25.694 CE :: 39.730 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 :: 7.598 HA :: 4.140 HB2 :: 1.699 HB3 :: 2.000 HG2 :: 1.178 HG3 :: 1.508 HD2 :: 1.545 HD3 :: 1.545 HE2 :: 2.813 HE3 :: 2.919 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 :: 118.965 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 A 0.46 L 0.02 C Shift Assignments>> C :: 176.359 CA :: 54.739 CB :: 39.240 CG :: 24.149 CD1 :: 22.859 CD2 :: 20.517 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 :: 7.639 HA :: 4.079 HB2 :: 1.195 HB3 :: 1.630 HG :: 1.747 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 HD21 :: 0.887 HD22 :: 0.887 HD23 :: 0.887 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.132 Ave N Shift Values>> N :: 121.98(4.07) 1.Q56 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 C 0.12 R 0.05 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 168.800(A) CA :: 50.878 CB :: 27.670 CG :: 32.107 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 :: 8.613 HA :: 4.614 HB2 :: 1.824 HB3 :: 1.876 HG2 :: 2.189 HG3 :: 2.128 HE21 :: 7.382 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 :: 118.188 NE2 :: 111.058 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.76 G 0.14 P 0.08 C Shift Assignments>> C :: 175.847 CA :: 62.401 CB :: 29.460 CG :: 24.904 CD :: 48.094 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 :: 4.692 HB2 :: 1.788 HB3 :: 2.249 HG2 :: 2.052 HG3 :: 2.052 HD2 :: 3.371 HD3 :: 3.602 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.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.27 K 0.11 D 0.07 C 0.07 F 0.06 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 172.385 CA :: 42.767 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.336 HA2 :: 4.050 HA3 :: 3.529 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.375 Ave N Shift Values>> N :: 109.91(4.29) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.614 CA :: 59.627 CB :: 61.222 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.199 HA :: 4.003 HB2 :: 3.801 HB3 :: 3.693 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 :: 116.946 Ave N Shift Values>> N :: 116.3(3.95) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 A 0.08 V 0.07 I 0.01 C Shift Assignments>> C :: 172.357 CA :: 57.665 CB :: 29.867 CG1 :: 20.481 CG2 :: 17.985 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 :: 9.013 HA :: 4.388 HB :: 1.945 HG11 :: 0.837 HG12 :: 0.837 HG13 :: 0.837 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 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 :: 121.143 Ave N Shift Values>> N :: 121.02(4.96) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.74 P 0.2 G 0.05 C Shift Assignments>> C :: 174.049 CA :: 62.517 CB :: 30.116 CG :: 24.612 CD :: 48.636 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 :: 4.125 HB2 :: 1.865 HB3 :: 2.228 HG2 :: 1.894 HD2 :: 3.436 HD3 :: 3.723 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.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 A 0.35 M 0.03 K 0.01 R 0.01 HN Overlap>> 1.T50 1.T50 C Shift Assignments>> C :: 172.106 CA :: 52.776 CB :: 32.096 CG :: 22.057 CD :: 26.811 CE :: 39.641 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 :: 7.657 HA :: 4.421 HB2 :: 1.613 HB3 :: 1.488 HG2 :: 1.190 HG3 :: 0.984 HD2 :: 1.537 HD3 :: 1.537 HE2 :: 2.832 HE3 :: 2.832 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.767 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.34 C Shift Assignments>> C :: 173.401 CA :: 58.877 CB :: 37.495 CG1 :: 25.562 CG2 :: 15.106 CD1 :: 11.579 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 :: 8.572 HA :: 3.640 HB :: 1.470 HG12 :: 0.444 HG13 :: 1.402 HG21 :: 0.546 HG22 :: 0.546 HG23 :: 0.546 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 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 :: 125.789 Ave N Shift Values>> N :: 121.6(4.72) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.24 D 0.05 Y 0.03 F 0.02 M 0.02 E 0.01 C Shift Assignments>> C :: 173.918 CA :: 51.327 CB :: 37.342 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.385 HA :: 4.415 HB2 :: 2.439 HB3 :: 2.198 HD21 :: 7.330 HD22 :: 8.018 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.765 ND2 :: 117.215 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.6 C 0.23 K 0.15 C Shift Assignments>> C :: 173.091 CA :: 52.636 CB :: 26.882 CG :: 25.109 CD :: 40.635 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>> HA :: 4.419 HB2 :: 1.570 HB3 :: 1.764 HG2 :: 1.478 HG3 :: 1.387 HD2 :: 3.007 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) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 C 0.05 C Shift Assignments>> C :: 172.463 CA :: 54.571 CB :: 61.925 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.637 HA :: 4.577 HB2 :: 3.433 HB3 :: 3.711 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 :: 115.618 Ave N Shift Values>> N :: 116.3(3.95) 1.M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.28 A 0.13 HN Overlap>> 1.Q68 1.Q68 C Shift Assignments>> C :: 175.016 CA :: 52.695 CB :: 29.979 CG :: 29.941 CE :: 14.668 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 :: 8.570 HA :: 4.466 HB2 :: 2.470 HB3 :: 2.629 HG2 :: 2.185 HG3 :: 1.898 HE1 :: 2.016 HE2 :: 2.016 HE3 :: 2.016 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 :: 119.888 Ave N Shift Values>> N :: 120.1(3.88) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.29 K 0.28 M 0.03 Q 0.02 HN Overlap>> 1.M67 1.M67 C Shift Assignments>> C :: 176.211 CA :: 53.766 CB :: 25.797 CG :: 31.400 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 :: 8.570 HA :: 4.171 HB2 :: 1.470 HB3 :: 1.312 HG2 :: 2.242 HG3 :: 2.242 HE21 :: 7.401 HE22 :: 6.869 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 :: 119.894 NE2 :: 111.935 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.19 E 0.13 Q 0.12 K 0.12 N 0.04 Y 0.03 H 0.01 W 0.01 R 0.01 C Shift Assignments>> C :: 175.821 CA :: 54.597 CB :: 35.038 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.080 HA :: 4.245 HB2 :: 2.912 HB3 :: 2.780 HD21 :: 7.680 HD22 :: 7.002 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 :: 124.227 ND2 :: 111.180 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 W 0.26 C Shift Assignments>> C :: 176.749 CA :: 57.883 CB :: 24.831 CD1 :: 125.068 CE3 :: 117.737 CZ2 :: 112.568 CZ3 :: 120.322 CH2 :: 122.649 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 :: 8.224 HA :: 4.198 HB2 :: 3.223 HB3 :: 3.096 HD1 :: 6.913 HE1 :: 9.702 HE3 :: 7.295 HZ2 :: 7.320 HZ3 :: 7.066 HH2 :: 7.139 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 115.992 NE1 :: 129.455 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.43 C 0.33 H 0.23 C Shift Assignments>> C :: 176.484 CA :: 55.895 CB :: 29.766 CD2 :: 113.844 CE1 :: 136.022 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 :: 6.318 HA :: 4.054 HB2 :: 2.975 HB3 :: 2.686 HD2 :: 6.237 HE1 :: 7.598 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 :: 119.864 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.32 K 0.19 Q 0.1 M 0.01 C Shift Assignments>> C :: 176.388 CA :: 57.086 CB :: 26.806 CG :: 32.019 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 :: 7.369 HA :: 4.112 HB2 :: 2.209 HB3 :: 2.438 HG2 :: 2.624 HG3 :: 2.508 HE21 :: 7.039 HE22 :: 6.606 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.745 NE2 :: 107.378 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 A 0.23 L 0.06 C Shift Assignments>> C :: 177.810 CA :: 55.768 CB :: 39.301 CG :: 24.868 CD1 :: 21.039 CD2 :: 22.624 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 :: 8.122 HA :: 3.602 HB2 :: 1.170 HB3 :: 1.440 HG :: 0.478 HD11 :: 0.313 HD12 :: 0.313 HD13 :: 0.313 HD21 :: 0.477 HD22 :: 0.477 HD23 :: 0.477 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.830 Ave N Shift Values>> N :: 121.98(4.07) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.19 E 0.12 R 0.06 I 0.03 C Shift Assignments>> C :: 176.208 CA :: 57.305 CB :: 27.331 CG :: 34.500 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 :: 7.716 HA :: 3.972 HB2 :: 1.939 HB3 :: 1.883 HG2 :: 2.191 HG3 :: 2.084 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 :: 120.458 Ave N Shift Values>> N :: 120.68(3.68) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 N 0.18 M 0.15 E 0.12 K 0.06 Y 0.04 Q 0.04 F 0.01 C Shift Assignments>> C :: 175.970 CA :: 53.353 CB :: 35.773 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 :: 7.476 HA :: 4.543 HB2 :: 2.749 HB3 :: 3.795 HD21 :: 8.292 HD22 :: 8.138 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.811 ND2 :: 110.790 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.21 A 0.16 HN Overlap>> 1.K120 1.K120 C Shift Assignments>> C :: 176.580 CA :: 55.921 CB :: 39.795 CG :: 24.725 CD1 :: 24.748 CD2 :: 21.317 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 :: 7.914 HA :: 4.148 HB2 :: 1.292 HB3 :: 2.162 HG :: 1.997 HD11 :: 1.327 HD12 :: 1.327 HD13 :: 1.327 HD21 :: 0.976 HD22 :: 0.976 HD23 :: 0.976 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.797 Ave N Shift Values>> N :: 121.98(4.07) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T46 1.T46 C Shift Assignments>> C :: 175.592 CA :: 59.798 CB :: 60.303 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.799 HA :: 4.114 HB2 :: 3.959 HB3 :: 3.910 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 :: 114.953 Ave N Shift Values>> N :: 116.3(3.95) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 M 0.2 E 0.1 Q 0.1 K 0.09 N 0.08 Y 0.02 H 0.01 W 0.01 C Shift Assignments>> C :: 176.667 CA :: 53.417 CB :: 35.103 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 :: 8.664 HA :: 4.544 HB2 :: 2.767 HB3 :: 3.036 HD21 :: 8.324 HD22 :: 7.122 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 :: 119.998 ND2 :: 113.951 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 Y 0.02 F 0.02 HN Overlap>> 1.L115 1.L115 C Shift Assignments>> C :: 174.039 CA :: 59.545 CB :: 36.356 CD1 :: 128.948 CD2 :: 128.948 CE1 :: 127.818 CE2 :: 127.818 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 :: 8.633 HA :: 4.000 HB2 :: 3.398 HB3 :: 3.542 HD1 :: 6.919 HD2 :: 6.919 HE1 :: 7.114 HE2 :: 7.114 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.943 Ave N Shift Values>> N :: 120.69(4.18) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.125 CA :: 63.774 CB :: 35.944 CG1 :: 27.761 CG2 :: 15.620 CD1 :: 11.596 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 :: 8.331 HA :: 3.067 HB :: 1.710 HG12 :: 1.543 HG13 :: 0.203 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 HD11 :: 0.419 HD12 :: 0.419 HD13 :: 0.419 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.789 Ave N Shift Values>> N :: 121.6(4.72) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 K 0.12 R 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 177.861 CA :: 57.635 CB :: 30.282 CG :: 23.364 CD :: 27.304 CE :: 39.848 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 :: 8.030 HA :: 3.864 HB2 :: 1.860 HB3 :: 1.860 HG2 :: 1.592 HG3 :: 1.414 HD2 :: 1.669 HD3 :: 1.669 HE2 :: 2.924 HE3 :: 2.924 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.635 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.33 C 0.01 C Shift Assignments>> C :: 178.488 CA :: 52.097 CB :: 16.673 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.856 HA :: 4.211 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.231 Ave N Shift Values>> N :: 123.23(3.7) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.34 C Shift Assignments>> C :: 176.692 CA :: 59.067 CB :: 32.030 CG :: 30.193 CE :: 15.591 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 :: 8.081 HA :: 3.587 HB2 :: 1.593 HB3 :: 2.514 HG2 :: 1.773 HG3 :: 1.622 HE1 :: 1.813 HE2 :: 1.813 HE3 :: 1.813 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.293 Ave N Shift Values>> N :: 120.1(3.88) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.38 I 0.01 C Shift Assignments>> C :: 179.392 CA :: 64.640 CB :: 29.073 CG1 :: 18.666 CG2 :: 21.397 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 :: 7.658 HA :: 3.707 HB :: 2.261 HG11 :: 0.894 HG12 :: 0.894 HG13 :: 0.894 HG21 :: 0.977 HG22 :: 0.977 HG23 :: 0.977 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.961 Ave N Shift Values>> N :: 121.02(4.96) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.244 CA :: 59.387 CB :: 60.371 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.005 HA :: 4.174 HB2 :: 3.961 HB3 :: 3.961 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 :: 118.063 Ave N Shift Values>> N :: 116.3(3.95) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 Y 0.38 C Shift Assignments>> C :: 173.108 CA :: 56.070 CB :: 38.044 CD1 :: 130.791 CD2 :: 130.791 CE1 :: 115.294 CE2 :: 115.294 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.969 HA :: 4.299 HB2 :: 2.858 HB3 :: 3.053 HD1 :: 6.816 HD2 :: 6.816 HE1 :: 6.556 HE2 :: 6.556 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 :: 121.538 Ave N Shift Values>> N :: 120.79(4.69) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.2 R 0.12 D 0.11 F 0.08 C 0.07 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 173.640 CA :: 42.207 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.629 HA2 :: 3.607 HA3 :: 4.207 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.929 Ave N Shift Values>> N :: 109.91(4.29) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 A 0.2 M 0.18 HN Overlap>> 1.D37 1.D37 C Shift Assignments>> C :: 173.555 CA :: 52.393 CB :: 28.624 CG :: 30.353 CE :: 14.967 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 :: 7.758 HA :: 4.352 HB2 :: 1.799 HB3 :: 1.558 HG2 :: 2.471 HG3 :: 2.597 HE1 :: 2.132 HE2 :: 2.132 HE3 :: 2.132 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 :: 118.102 Ave N Shift Values>> N :: 120.1(3.88) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.41 G 0.04 P 0.03 M 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.126 CA :: 49.227 CB :: 36.696 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.166 HA :: 4.803 HB2 :: 2.815 HB3 :: 2.648 HD21 :: 6.918 HD22 :: 7.718 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.815 ND2 :: 113.868 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 P 0.34 G 0.11 C Shift Assignments>> C :: 176.787 CA :: 63.448 CB :: 29.778 CG :: 25.352 CD :: 48.318 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 :: 3.988 HB2 :: 2.272 HB3 :: 1.845 HG2 :: 1.925 HG3 :: 2.073 HD2 :: 3.731 HD3 :: 3.903 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.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.28 V 0.03 C Shift Assignments>> C :: 174.004 CA :: 61.357 CB :: 29.065 CG1 :: 18.058 CG2 :: 18.058 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 :: 7.770 HA :: 3.965 HB :: 2.107 HG11 :: 0.854 HG12 :: 0.854 HG13 :: 0.854 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.427 Ave N Shift Values>> N :: 121.02(4.96) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.28 C 0.13 L 0.06 F 0.04 Y 0.04 C Shift Assignments>> C :: 173.327 CA :: 51.817 CB :: 39.886 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 :: 7.884 HA :: 4.753 HB2 :: 2.925 HB3 :: 2.617 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 :: 118.725 Ave N Shift Values>> N :: 120.73(4.2) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 C 0.21 L 0.01 C Shift Assignments>> C :: 173.377 CA :: 51.479 CB :: 40.583 CG :: 23.905 CD1 :: 23.502 CD2 :: 20.458 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 :: 6.882 HA :: 4.354 HB2 :: 1.736 HB3 :: 1.230 HG :: 1.804 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 HD21 :: 0.614 HD22 :: 0.614 HD23 :: 0.614 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.007 Ave N Shift Values>> N :: 121.98(4.07) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 F 0.1 Y 0.03 C Shift Assignments>> C :: 171.183 CA :: 52.690 CB :: 37.847 CD1 :: 131.794 CD2 :: 131.794 CE1 :: 127.801 CE2 :: 127.801 CZ :: 125.966 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 :: 6.437 HA :: 4.894 HB2 :: 2.829 HB3 :: 3.691 HD1 :: 7.592 HD2 :: 7.592 HE1 :: 7.255 HE2 :: 7.255 HZ :: 7.139 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.178 Ave N Shift Values>> N :: 120.69(4.18) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.26 K 0.21 E 0.07 M 0.04 R 0.03 P 0.02 HN Overlap>> 1.R23 1.R23 C Shift Assignments>> C :: 176.731 CA :: 52.445 CB :: 28.831 CG :: 34.348 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 :: 8.983 HA :: 4.523 HB2 :: 2.127 HB3 :: 1.856 HG2 :: 2.227 HG3 :: 2.322 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 :: 119.588 Ave N Shift Values>> N :: 120.68(3.68) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 A 0.16 I 0.04 C 0.02 C Shift Assignments>> C :: 178.374 CA :: 55.247 CB :: 16.080 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.165 HA :: 3.893 HB1 :: 1.329 HB2 :: 1.329 HB3 :: 1.329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.980 Ave N Shift Values>> N :: 123.23(3.7) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.17 N 0.14 M 0.13 Y 0.06 K 0.06 Q 0.03 F 0.02 C Shift Assignments>> C :: 175.722 CA :: 54.231 CB :: 35.971 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.238 HA :: 4.571 HB2 :: 2.802 HB3 :: 2.802 HD21 :: 6.595 HD22 :: 7.493 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 :: 113.976 ND2 :: 110.177 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.21 Y 0.15 D 0.12 F 0.11 E 0.05 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 174.296 CA :: 54.874 CB :: 38.360 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 :: 8.471 HA :: 4.079 HB2 :: 3.146 HB3 :: 2.829 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 :: 122.005 Ave N Shift Values>> N :: 120.73(4.2) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.32 C 0.2 G 0.05 R 0.01 C Shift Assignments>> C :: 177.021 CA :: 53.016 CB :: 42.603 CG :: 25.914 CD1 :: 21.692 CD2 :: 24.420 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 :: 6.785 HA :: 4.754 HB2 :: 1.853 HB3 :: 1.341 HG :: 1.403 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 112.757 Ave N Shift Values>> N :: 121.98(4.07) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 173.144 CA :: 61.380 CB :: 38.572 CD1 :: 129.987 CD2 :: 129.987 CE1 :: 129.892 CE2 :: 129.892 CZ :: 127.252 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.350 HA :: 3.841 HB2 :: 3.009 HB3 :: 3.009 HD1 :: 7.359 HD2 :: 7.359 HE1 :: 7.385 HE2 :: 7.385 HZ :: 7.107 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 :: 120.959 Ave N Shift Values>> N :: 120.69(4.18) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.35 C 0.3 Q 0.12 K 0.09 R 0.09 M 0.01 C Shift Assignments>> C :: 174.598 CA :: 51.915 CB :: 26.895 CG :: 33.375 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 :: 7.477 HA :: 4.511 HB2 :: 2.261 HB3 :: 1.732 HG2 :: 2.367 HG3 :: 2.155 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 :: 110.657 Ave N Shift Values>> N :: 120.68(3.68) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.71 C 0.28 C Shift Assignments>> C :: 173.870 CA :: 56.465 CB :: 59.263 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.290 HA :: 3.641 HB2 :: 3.944 HB3 :: 3.644 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 :: 111.364 Ave N Shift Values>> N :: 116.3(3.95) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 173.220 CA :: 44.932 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.750 HA2 :: 3.929 HA3 :: 3.801 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.336 Ave N Shift Values>> N :: 109.91(4.29) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.61 C 0.2 M 0.07 Q 0.03 K 0.02 N 0.01 H 0.01 C Shift Assignments>> C :: 172.426 CA :: 50.455 CB :: 33.943 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 :: 8.734 HA :: 4.626 HB2 :: 2.844 HB3 :: 2.844 HD21 :: 7.842 HD22 :: 6.855 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.103 ND2 :: 111.651 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 M 0.02 C Shift Assignments>> C :: 177.626 CA :: 52.875 CB :: 26.674 CG :: 30.126 CE :: 11.857 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 :: 9.122 HA :: 4.577 HB2 :: 1.868 HB3 :: 1.815 HG2 :: 2.845 HG3 :: 2.211 HE1 :: 2.000 HE2 :: 2.000 HE3 :: 2.000 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.442 Ave N Shift Values>> N :: 120.1(3.88) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.13 S 0.04 C Shift Assignments>> C :: 173.207 CA :: 65.553 CB :: 65.594 CG2 :: 19.955 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 :: 8.452 HA :: 4.264 HB :: 3.906 HG21 :: 1.046 HG22 :: 1.046 HG23 :: 1.046 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.464 Ave N Shift Values>> N :: 115.7(5.05) 1.Q107 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.23 L 0.03 M 0.03 HN Overlap>> 1.A20 1.A20 C Shift Assignments>> C :: 176.089 CA :: 55.088 CB :: 25.070 CG :: 30.056(S) 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 :: 7.314 HA :: 3.968 HB2 :: 1.782 HB3 :: 2.072 HG2 :: 2.425 HG3 :: 2.729 HE21 :: 6.691 HE22 :: 7.522 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.377 NE2 :: 110.662 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.26 V 0.17 HN Overlap>> 1.K18 1.K18 C Shift Assignments>> C :: 174.925 CA :: 64.090 CB :: 28.617 CG1 :: 17.898 CG2 :: 20.106 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 :: 7.282 HA :: 3.048 HB :: 2.203 HG11 :: 0.405 HG12 :: 0.405 HG13 :: 0.405 HG21 :: 0.429 HG22 :: 0.429 HG23 :: 0.429 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 :: 118.025 Ave N Shift Values>> N :: 121.02(4.96) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.22 K 0.22 R 0.13 E 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 175.045 CA :: 58.616 CB :: 27.466 CG :: 33.485 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 :: 8.092 HA :: 3.650 HB2 :: 2.043 HB3 :: 2.311 HG2 :: 1.909 HG3 :: 1.757 HE21 :: 5.670 HE22 :: 6.375 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.313 NE2 :: 109.201 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.26 I 0.03 C Shift Assignments>> C :: 177.290 CA :: 64.565 CB :: 29.703 CG1 :: 20.149 CG2 :: 18.784 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 :: 8.440 HA :: 3.480 HB :: 2.084 HG11 :: 1.016 HG12 :: 1.016 HG13 :: 1.016 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 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 :: 117.849 Ave N Shift Values>> N :: 121.02(4.96) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S144 1.S144 C Shift Assignments>> C :: 175.498 CA :: 59.309 CB :: 62.536 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.448 HA :: 4.349 HB2 :: 4.129 HB3 :: 4.015 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 :: 116.053 Ave N Shift Values>> N :: 116.3(3.95) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 A 0.36 L 0.12 C Shift Assignments>> C :: 177.389 CA :: 55.511 CB :: 40.630 CG :: 24.643 CD1 :: 24.248 CD2 :: 20.329 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 :: 8.571 HA :: 4.354 HB2 :: 1.507 HB3 :: 2.129 HG :: 2.277 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 1.130 HD22 :: 1.130 HD23 :: 1.130 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.329 Ave N Shift Values>> N :: 121.98(4.07) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 A 0.37 L 0.05 C Shift Assignments>> C :: 178.585 CA :: 55.463 CB :: 39.306 CG :: 24.639 CD1 :: 24.125 CD2 :: 20.243 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 :: 8.512 HA :: 3.864 HB2 :: 1.294 HB3 :: 1.875 HG :: 1.728 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 HD21 :: 0.698 HD22 :: 0.698 HD23 :: 0.698 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.869 Ave N Shift Values>> N :: 121.98(4.07) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.27 C 0.01 I 0.01 C Shift Assignments>> C :: 178.875 CA :: 52.480 CB :: 14.880 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.145 HA :: 4.138 HB1 :: 1.532 HB2 :: 1.532 HB3 :: 1.532 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.528 Ave N Shift Values>> N :: 123.23(3.7) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 L 0.2 A 0.11 HN Overlap>> 1.F79 1.F79 C Shift Assignments>> C :: 175.970 CA :: 56.020 CB :: 39.352 CG :: 25.227 CD1 :: 21.725 CD2 :: 24.115 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 :: 8.706 HA :: 4.406 HB2 :: 2.473 HB3 :: 1.707 HG :: 1.772 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 1.178 HD22 :: 1.178 HD23 :: 1.178 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 :: 124.937 Ave N Shift Values>> N :: 121.98(4.07) 1.A116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.9 I 0.04 A 0.03 C 0.01 HN Overlap>> 1.K137 1.K137 C Shift Assignments>> C :: 179.099 CA :: 53.156 CB :: 13.131 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.132 HA :: 3.238 HB1 :: 0.088(S) HB2 :: 0.088(S) HB3 :: 0.088(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.409 Ave N Shift Values>> N :: 123.23(3.7) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.620 CA :: 44.632 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.950 HA2 :: 3.749 HA3 :: 3.657 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.992 Ave N Shift Values>> N :: 109.91(4.29) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 L 0.13 A 0.07 R 0.02 C Shift Assignments>> C :: 177.242 CA :: 55.882 CB :: 29.553 CG :: 22.372 CD :: 25.843 CE :: 39.551 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 :: 8.134 HA :: 4.105 HB2 :: 1.958 HB3 :: 2.126 HG2 :: 1.341 HG3 :: 1.297 HD2 :: 1.557 HD3 :: 1.512 HE2 :: 2.650 HE3 :: 2.796 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.138 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.33 C 0.01 C Shift Assignments>> C :: 178.902 CA :: 52.591 CB :: 17.076 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.824 HA :: 4.625 HB1 :: 1.716 HB2 :: 1.716 HB3 :: 1.716 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.298 Ave N Shift Values>> N :: 123.23(3.7) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 K 0.04 L 0.03 R 0.03 A 0.02 M 0.02 HN Overlap>> 1.L76 1.L76 C Shift Assignments>> C :: 177.027 CA :: 56.634 CB :: 30.119 CG :: 22.869 CD :: 26.985 CE :: 39.540 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 :: 7.815 HA :: 4.109 HB2 :: 1.904 HB3 :: 1.861 HG2 :: 1.381 HG3 :: 1.500 HD2 :: 1.552 HD3 :: 1.552 HE2 :: 2.779 HE3 :: 2.779 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.787 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.13 S 0.1 C Shift Assignments>> C :: 174.016 CA :: 61.963 CB :: 67.086 CG2 :: 19.443 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 :: 7.720 HA :: 4.141 HB :: 4.295 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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 :: 111.998 Ave N Shift Values>> N :: 115.7(5.05) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 K 0.07 R 0.05 L 0.04 A 0.04 M 0.02 C Shift Assignments>> C :: 176.060 CA :: 55.679 CB :: 30.238 CG :: 23.021 CD :: 26.917 CE :: 39.778 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 :: 7.944 HA :: 4.158 HB2 :: 1.874 HB3 :: 1.874 HG2 :: 1.319 HG3 :: 1.436 HD2 :: 1.400 HD3 :: 1.400 HE2 :: 2.553 HE3 :: 2.374 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.757 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 G 0.06 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.553 CA :: 43.308 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.029 HA2 :: 3.944 HA3 :: 3.944 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.144 Ave N Shift Values>> N :: 109.91(4.29) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 C 0.4 L 0.09 C Shift Assignments>> C :: 175.916 CA :: 53.305 CB :: 40.012 CG :: 24.689 CD1 :: 21.396 CD2 :: 22.768 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 :: 7.914 HA :: 4.323 HB2 :: 1.657 HB3 :: 1.560 HG :: 1.643 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.887 HD22 :: 0.887 HD23 :: 0.887 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 :: 121.184 Ave N Shift Values>> N :: 121.98(4.07) 1.Q125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.35 K 0.17 Q 0.05 M 0.02 P 0.01 C Shift Assignments>> C :: 174.184 CA :: 53.641 CB :: 27.025 CG :: 31.585 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 :: 8.315 HA :: 4.329 HB2 :: 2.105 HB3 :: 1.985 HG2 :: 2.354 HG3 :: 2.354 HE21 :: 7.439 HE22 :: 6.784 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 :: 120.589 NE2 :: 112.074 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.129 CA :: 56.368 CB :: 61.680 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.250 HA :: 4.398 HB2 :: 3.856 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 :: 116.170 Ave N Shift Values>> N :: 116.3(3.95) 1.G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.167 CA :: 43.185 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.362 HA2 :: 3.926 HA3 :: 3.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.447 Ave N Shift Values>> N :: 109.91(4.29) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.1 I 0.08 C Shift Assignments>> C :: 173.764 CA :: 59.873 CB :: 30.591 CG1 :: 18.840 CG2 :: 18.040 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 :: 7.817 HA :: 4.054 HB :: 1.992 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 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 :: 118.261 Ave N Shift Values>> N :: 121.02(4.96) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.18 C 0.15 Y 0.04 F 0.04 L 0.02 C Shift Assignments>> C :: 174.383 CA :: 51.879 CB :: 38.889 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 :: 8.347 HA :: 4.575 HB2 :: 2.649 HB3 :: 2.509 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 :: 123.618 Ave N Shift Values>> N :: 120.73(4.2) 1.I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.23 C Shift Assignments>> C :: 174.898 CA :: 59.195 CB :: 36.297 CG1 :: 24.817 CG2 :: 15.386 CD1 :: 11.032 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 :: 8.007 HA :: 4.107 HB :: 1.858 HG12 :: 1.358 HG13 :: 1.120 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.411 Ave N Shift Values>> N :: 121.6(4.72) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 F 0.04 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.260 CA :: 43.105 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.391 HA2 :: 3.860 HA3 :: 3.860 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.538 Ave N Shift Values>> N :: 109.91(4.29) 1.V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.11 I 0.07 C Shift Assignments>> C :: 174.108 CA :: 60.121 CB :: 30.398 CG1 :: 18.352 CG2 :: 18.727 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 :: 7.777 HA :: 3.954 HB :: 1.905 HG11 :: 0.804 HG12 :: 0.804 HG13 :: 0.804 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.361 Ave N Shift Values>> N :: 121.02(4.96) 1.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 A 0.23 R 0.03 K 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 174.472 CA :: 53.765 CB :: 30.721 CG :: 22.297 CD :: 26.835 CE :: 39.814 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 :: 8.231 HA :: 4.210 HB2 :: 1.614 HB3 :: 1.614 HG2 :: 1.289 HG3 :: 1.204 HD2 :: 1.564 HD3 :: 1.564 HE2 :: 2.921 HE3 :: 2.921 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.608 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 Y 0.32 H 0.01 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 173.943 CA :: 55.858 CB :: 36.529 CD1 :: 130.841 CD2 :: 130.841 CE1 :: 115.956 CE2 :: 115.956 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 :: 8.188 HA :: 4.475 HB2 :: 2.967 HB3 :: 2.865 HD1 :: 7.032 HD2 :: 7.032 HE1 :: 6.727 HE2 :: 6.727 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 :: 121.715 Ave N Shift Values>> N :: 120.79(4.69) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.341 CA :: 55.879 CB :: 61.692 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 :: 4.298 HB2 :: 3.748 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 :: 117.129 Ave N Shift Values>> N :: 116.3(3.95) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.27 K 0.24 R 0.08 E 0.06 M 0.02 C Shift Assignments>> C :: 174.591 CA :: 54.350 CB :: 27.933 CG :: 33.876 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 :: 8.334 HA :: 4.192 HB2 :: 1.974 HB3 :: 1.872 HG2 :: 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 :: 122.734 Ave N Shift Values>> N :: 120.68(3.68) 1.K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 A 0.2 R 0.04 K 0.03 M 0.02 L 0.02 HN Overlap>> 1.A116 1.A116 C Shift Assignments>> C :: 174.582 CA :: 53.950 CB :: 30.540 CG :: 22.396 CD :: 26.730 CE :: 39.808 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 :: 8.185 HA :: 4.216 HB2 :: 1.740 HB3 :: 1.661 HG2 :: 1.325 HG3 :: 1.358 HD2 :: 1.616 HD3 :: 1.616 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.382 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.34 K 0.17 Q 0.04 M 0.03 P 0.01 C Shift Assignments>> C :: 174.049 CA :: 53.455 CB :: 27.140 CG :: 31.468 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 :: 8.251 HA :: 4.230 HB2 :: 1.994 HG2 :: 2.241 HE21 :: 6.765 HE22 :: 7.431 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.261 NE2 :: 112.197 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.27 K 0.24 R 0.08 E 0.06 M 0.02 C Shift Assignments>> C :: 174.524 CA :: 54.355 CB :: 27.914 CG :: 33.848 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 :: 8.394 HA :: 4.193 HB2 :: 1.972 HB3 :: 1.872 HG2 :: 2.188 HG3 :: 2.188 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 :: 122.361 Ave N Shift Values>> N :: 120.68(3.68) 1.R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.16 K 0.14 L 0.12 C Shift Assignments>> C :: 174.270 CA :: 53.689 CB :: 28.481 CG :: 28.543 CD :: 41.011 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 :: 8.344 HA :: 4.331 HB2 :: 1.763 HB3 :: 1.695 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.772 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.S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> 1.Q39 1.Q39 C Shift Assignments>> C :: 172.605 CA :: 55.953 CB :: 61.766 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.298 HA :: 4.442 HB2 :: 3.805 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 :: 116.837 Ave N Shift Values>> N :: 116.3(3.95) 1.G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.18 R 0.15 D 0.1 F 0.07 C 0.07 Y 0.04 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 169.891 CA :: 42.326 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.187 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.358 Ave N Shift Values>> N :: 109.91(4.29) 1.P143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.77 G 0.21 C Shift Assignments>> C :: 175.515 CA :: 60.933 CB :: 29.820 CG :: 24.787 CD :: 47.463 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 :: 4.401 HB2 :: 1.922 HB3 :: 2.242 HG2 :: 1.940 HD2 :: 3.550 HD3 :: 3.550 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.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> 1.S111 1.S111 C Shift Assignments>> C :: 172.757 CA :: 56.114 CB :: 61.453 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.461 HA :: 4.432 HB2 :: 3.836 HB3 :: 3.645 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 :: 116.002 Ave N Shift Values>> N :: 116.3(3.95) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.012 CA :: 56.100 CB :: 61.786 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.243 HA :: 4.423 HB2 :: 3.822 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 :: 117.416 Ave N Shift Values>> N :: 116.3(3.95) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.26 G 0.2 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 177.069 CA :: 43.891 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.964 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.481 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 140 #Clerical: 0 #Suspicious: 2 #Anomalous: 2 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 137 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 146 #Suspicious: 0 C Shift Results: #Consistent: 614 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent: 973 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 1 N Shift Results: #Consistent: 151 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E19 HG2 = 1.536(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.2806e-04 1.E19 HG3 = 0.971(A), Expected = 2.31, Std = 0.2100, ChiSquare = 1.8155e-10 1.L42 HD11 = -0.205(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.0489e-04 1.L42 HD12 = -0.205(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.0489e-04 1.L42 HD13 = -0.205(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.0489e-04 1.L48 Typing: Mistyped 1.L48 CB = 35.992(S), Expected = 42.37, Std = 1.8600, ChiSquare = 6.0574e-04 1.L48 HB3 = -0.335(S), Expected = 1.57, Std = 0.3600, ChiSquare = 1.2121e-07 1.Q56 C = 168.800(A), Expected = 176.39, Std = 1.9600, ChiSquare = 1.0775e-04 1.Q107 Typing: Mistyped 1.Q107 CG = 30.056(S), Expected = 33.72, Std = 1.1000, ChiSquare = 8.6563e-04 1.A116 HB1 = 0.088(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3661e-07 1.A116 HB2 = 0.088(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3661e-07 1.A116 HB3 = 0.088(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3661e-07