G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.09 C 0.08 D 0.04 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> CA :: 43.484 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.933 HA2 :: 3.949 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.124 Ave N Shift Values>> N :: 109.91(4.29) P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.11 CA :: 62.794 CB :: 32.349 CG :: 27.095 CD :: 49.635 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 :: 4.516 HB2 :: 1.852 HB3 :: 2.283 HG2 :: 1.96 HG3 :: 1.96 HD2 :: 3.549 HD3 :: 3.549 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) V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 175.926 CA :: 62.968 CB :: 32.653 CG1 :: 20.994 CG2 :: 20.959 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 :: 8.389 HA :: 4.056 HB :: 2.027 HG1 :: 0.905 HG2 :: 0.966 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 :: 121.149 Ave N Shift Values>> N :: 121.02(4.96) N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.17 D 0.15 Y 0.03 F 0.02 L 0.02 C Shift Assignments>> C :: 173.906 CA :: 50.702 CB :: 38.811 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 :: 8.672 HA :: 5.033 HB2 :: 2.812 HB3 :: 3.077 HD21 :: 7.264 HD22 :: 7.793 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 :: 123.395 ND2 :: 114.13 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.12 C Shift Assignments>> C :: 178.849 CA :: 65.02 CB :: 31.927 CG :: 27.569 CD :: 50.605 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 :: 4.119 HB2 :: 1.824 HB3 :: 1.9 HG2 :: 1.506 HG3 :: 1.881 HD2 :: 3.883 HD3 :: 3.92 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) A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.26 I 0.06 C 0.04 V 0.02 C Shift Assignments>> C :: 178.692 CA :: 55.942 CB :: 18.64 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.241 HA :: 4.017 HB :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.461 Ave N Shift Values>> N :: 123.23(3.7) E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.1 I 0.1 Q 0.06 M 0.04 C Shift Assignments>> C :: 179 CA :: 58.57 CB :: 29.657 CG :: 35.864 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 :: 7.304 HA :: 4.139 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 2.321 HG3 :: 2.321 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.163 Ave N Shift Values>> N :: 120.68(3.68) N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 C 0.21 F 0.17 D 0.13 N 0.12 L 0.05 E 0.03 I 0.03 C Shift Assignments>> C :: 176.815 CA :: 55.921 CB :: 38.879 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 :: 8.18 HA :: 4.296 HB2 :: 2.709 HB3 :: 2.709 HD21 :: 6.8 HD22 :: 7.749 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.096 ND2 :: 112.91 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.38 C 0.2 HN Overlap>> F66 C Shift Assignments>> C :: 175.381 CA :: 60.733 CB :: 39.659 CD2 :: 132.504 CE2 :: 130.422 CZ :: 128.803 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.724 HA :: 4.227 HB2 :: 3.225 HB3 :: 3.225 HD2 :: 6.893 HE2 :: 6.607 HZ :: 6.808 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.502 Ave N Shift Values>> N :: 120.69(4.18) R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 G 0.32 R 0.2 K 0.02 HN Overlap>> I58 C Shift Assignments>> C :: 178.941 CA :: 60.357 CB :: 30.745 CG :: 29.57 CD :: 44.265 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.573 HA :: 3.376 HB2 :: 1.738 HB3 :: 1.99 HG2 :: 1.698 HG3 :: 2.209 HD2 :: 3.204 HD3 :: 3.322 HE :: 7.926 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 :: 116.715 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.304 CA :: 66.53 CB :: 31.73 CG1 :: 21.155 CG2 :: 22.934 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 :: 7.915 HA :: 3.575 HB :: 2.117 HG1 :: 0.858 HG2 :: 1.057 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) L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.35 R 0.11 G 0.03 C Shift Assignments>> C :: 180.353 CA :: 58.505 CB :: 42.514 CG :: 26.771 CD1 :: 23.618 CD2 :: 25.644 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 :: 8.02 HA :: 3.814 HB2 :: 1.131 HB3 :: 1.793 HG :: 1.753 HD1 :: 0.755 HD2 :: 0.812 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 :: 119.394 Ave N Shift Values>> N :: 121.98(4.07) V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 178.999 CA :: 64.39 CB :: 30.946 CG1 :: 22.537 CG2 :: 19.896 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 :: 7.437 HA :: 3.792 HB :: 1.594 HG1 :: 0.162 HG2 :: 0.373 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 :: 110.43 Ave N Shift Values>> N :: 121.02(4.96) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.2 M 0.01 C Shift Assignments>> C :: 178.875 CA :: 59.236 CB :: 32.458 CG :: 25.606 CD :: 29.321 CE :: 41.994 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 :: 7.975 HA :: 4.213 HB2 :: 1.931 HB3 :: 1.931 HG2 :: 1.609 HG3 :: 1.609 HD2 :: 1.696 HD3 :: 1.696 HE2 :: 3.005 HE3 :: 3.005 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.965 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.26 K 0.24 E 0.14 R 0.04 M 0.02 I 0.01 HN Overlap>> E55 C Shift Assignments>> C :: 175.826 CA :: 55.968 CB :: 28.482 CG :: 34.368 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 :: 8.048 HA :: 4.314 HB2 :: 2.023 HB3 :: 2.246 HG2 :: 2.417 HG3 :: 2.569 HE21 :: 6.812 HE22 :: 7.421 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 :: 114.847 NE2 :: 111.28 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.3 K 0.29 G 0.01 M 0.01 C Shift Assignments>> C :: 176.667 CA :: 57.297 CB :: 29.787 CG :: 25.041 CD :: 29.332 CE :: 42.386 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 :: 7.714 HA :: 4.093 HB2 :: 1.941 HB3 :: 1.941 HG2 :: 1.421 HG3 :: 1.421 HD2 :: 1.742 HD3 :: 1.956 HE2 :: 3.061 HE3 :: 3.061 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.899 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.2 M 0.01 HN Overlap>> V77 T108 C Shift Assignments>> C :: 176.455 CA :: 56.921 CB :: 33.382 CG :: 25.393 CD :: 28.882 CE :: 42.137 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 :: 8.304 HA :: 4.203 HB2 :: 1.693 HB3 :: 1.952 HG2 :: 0.76 HG3 :: 1.415 HD2 :: 1.685 HD3 :: 1.685 HE2 :: 2.963 HE3 :: 2.963 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 :: 118.163 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 L 0.23 C 0.13 M 0.11 K 0.01 C Shift Assignments>> C :: 176.591 CA :: 50.947 CB :: 22.141 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.701 HA :: 4.446 HB :: 1.259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.199 Ave N Shift Values>> N :: 123.23(3.7) S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.49 CA :: 57.301 CB :: 64.4 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.657 HA :: 4.424 HB2 :: 4.025 HB3 :: 4.332 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 :: 115.765 Ave N Shift Values>> N :: 116.3(3.95) F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.37 C 0.23 C Shift Assignments>> C :: 179.785 CA :: 62.31 CB :: 38.791 CD2 :: 132.504 CE2 :: 131.024 CZ :: 128.133 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 :: 9.215 HA :: 3.65 HB2 :: 3.039 HB3 :: 3.039 HD2 :: 6.792 HE2 :: 7.292 HZ :: 7.43 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 :: 124.588 Ave N Shift Values>> N :: 120.69(4.18) E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.29 I 0.21 K 0.06 Q 0.04 M 0.03 C Shift Assignments>> C :: 176.805 CA :: 60.644 CB :: 30.037 CG :: 35.732 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.218 HA :: 3.662 HB2 :: 2.167 HB3 :: 2.167 HG2 :: 2.151 HG3 :: 2.151 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.561 Ave N Shift Values>> N :: 120.68(3.68) E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.18 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 179.783 CA :: 59.386 CB :: 29.777 CG :: 36.271 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 :: 7.953 HA :: 3.987 HB2 :: 1.966 HB3 :: 2.105 HG2 :: 2.231 HG3 :: 2.231 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 :: 119.666 Ave N Shift Values>> N :: 120.68(3.68) A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.44 C 0.03 I 0.02 C Shift Assignments>> C :: 181.479 CA :: 54.851 CB :: 18.798 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.614 HA :: 3.948 HB :: 1.162 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.764 Ave N Shift Values>> N :: 123.23(3.7) S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.471 CA :: 61.924 CB :: 62.393 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.788 HA :: 3.366 HB2 :: 3.073 HB3 :: 3.134 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 :: 114.833 Ave N Shift Values>> N :: 116.3(3.95) N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.19 Y 0.17 F 0.1 N 0.09 M 0.05 I 0.03 D 0.02 K 0.02 C Shift Assignments>> C :: 178.651 CA :: 56.052 CB :: 37.24 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 :: 8.226 HA :: 4.399 HB2 :: 2.702 HB3 :: 2.937 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 :: 123.484 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.24 Q 0.24 E 0.09 R 0.08 M 0.03 I 0.02 C Shift Assignments>> C :: 178.041 CA :: 58.59 CB :: 28.608 CG :: 33.577 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 :: 7.523 HA :: 3.968 HB2 :: 2.073 HB3 :: 2.073 HG2 :: 2.255 HG3 :: 2.458 HE21 :: 6.751 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 :: 119.519 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.62 C 0.33 G 0.02 R 0.01 C Shift Assignments>> C :: 178.79 CA :: 58.141 CB :: 42.306 CG :: 25.93 CD1 :: 24.183 CD2 :: 23.944 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 :: 7.495 HA :: 4.009 HB2 :: 1.051 HB3 :: 1.376 HG :: 1.132 HD1 :: -0.201(S) HD2 :: 0.678 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 :: 121.521 Ave N Shift Values>> N :: 121.98(4.07) I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 177.583 CA :: 66.14 CB :: 38.394 CG1 :: 29.389 CG2 :: 17.186 CD1 :: 13.905 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 :: 8.468 HA :: 3.272 HB :: 1.755 HG2 :: 0.943 HG12 :: 0.296 HG13 :: 1.272 HD1 :: 0.803 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.586 Ave N Shift Values>> N :: 121.6(4.72) N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.23 F 0.17 E 0.1 N 0.07 I 0.06 D 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 178.353 CA :: 56.656 CB :: 38.12 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 :: 7.431 HA :: 4.385 HB2 :: 2.629 HB3 :: 2.735 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.779 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.44 C 0.32 H 0.23 HN Overlap>> F66 C Shift Assignments>> C :: 177.098 CA :: 60 CB :: 29.532 CD2 :: 122.596 CE1 :: 139.106 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.601 HA :: 4.034 HB2 :: 2.432 HB3 :: 3.212 HD2 :: 6.868 HE1 :: 7.681 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 :: 118.585 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.81 CA :: 66.465 CB :: 38.171 CG1 :: 30.283 CG2 :: 16.766 CD1 :: 14.845 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 :: 8.397 HA :: 3.659 HB :: 2.215 HG2 :: 1.114 HG12 :: 1.121 HG13 :: 1.96 HD1 :: 0.802 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.142 Ave N Shift Values>> N :: 121.6(4.72) E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.32 E 0.22 K 0.02 C Shift Assignments>> C :: 179.056 CA :: 60.552 CB :: 29.252 CG :: 37.22 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 :: 8.478 HA :: 3.793 HB2 :: 2.044 HB3 :: 2.104 HG2 :: 2.103 HG3 :: 2.56 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.745 Ave N Shift Values>> N :: 120.68(3.68) Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.21 K 0.21 E 0.13 I 0.05 R 0.05 M 0.01 C Shift Assignments>> C :: 180.152 CA :: 59.098 CB :: 28.318 CG :: 34.233 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 :: 7.71 HA :: 4.055 HB2 :: 2.04 HB3 :: 2.04 HG2 :: 2.294 HG3 :: 2.469 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 :: 118.354 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Y 0.34 F 0.31 C Shift Assignments>> C :: 179.895 CA :: 57.48 CB :: 37.574 CD2 :: 130.615 CE2 :: 131.286 CZ :: 129.149 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 :: 8.47 HA :: 4.607 HB2 :: 3.405 HB3 :: 3.761 HD2 :: 7.236 HE2 :: 7.36 HZ :: 7.198 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.385 Ave N Shift Values>> N :: 120.69(4.18) L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.4 R 0.01 A 0.01 C Shift Assignments>> C :: 179.701 CA :: 58.208 CB :: 41.078 CG :: 26.027 CD1 :: 22.117 CD2 :: 25.305 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 :: 8.677 HA :: 4.133 HB2 :: 1.341 HB3 :: 1.845 HG :: 1.84 HD1 :: 0 HD2 :: 0.427 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 :: 121.119 Ave N Shift Values>> N :: 121.98(4.07) D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.16 D 0.16 F 0.15 K 0.15 Y 0.13 C 0.13 N 0.03 R 0.03 I 0.01 C Shift Assignments>> C :: 177.973 CA :: 56.296 CB :: 40.954 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 :: 7.776 HA :: 4.557 HB2 :: 2.724 HB3 :: 2.798 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.876 Ave N Shift Values>> N :: 120.73(4.2) T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.669 CA :: 64.172 CB :: 70.182 CG2 :: 20.559 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 :: 7.397 HA :: 4.052 HB :: 4.066 HG2 :: 1.001 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 :: 108.925 Ave N Shift Values>> N :: 115.7(5.05) N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 D 0.19 C 0.17 Y 0.14 F 0.12 L 0.05 E 0.01 I 0.01 C Shift Assignments>> C :: 174.433 CA :: 54.629 CB :: 39.043 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 :: 7.941 HA :: 4.621 HB2 :: 2.704 HB3 :: 3.381 HD21 :: 6.884 HD22 :: 7.522 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 :: 114.97 ND2 :: 110.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.26 E 0.14 Q 0.01 C Shift Assignments>> C :: 176.853 CA :: 54.845 CB :: 33.43 CG :: 36.129 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 :: 7.438 HA :: 4.616 HB2 :: 2.072 HB3 :: 2.072 HG2 :: 2.208 HG3 :: 2.398 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.531 Ave N Shift Values>> N :: 120.68(3.68) T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 HN Overlap>> E62 C Shift Assignments>> C :: 176.745 CA :: 68.346 CB :: 66.791 CG2 :: 22.899 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 :: 8.871 HA :: 3.753 HB :: 4.295 HG2 :: 1.346 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.44 Ave N Shift Values>> N :: 115.7(5.05) P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.27 C Shift Assignments>> C :: 180.104 CA :: 66.266 CB :: 30.918 CG :: 28.598 CD :: 50.395 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 :: 4.27 HB2 :: 1.37 HB3 :: 2.169 HG2 :: 1.932 HG3 :: 1.932 HD2 :: 3.657 HD3 :: 3.789 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) Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 C 0.34 F 0.21 C Shift Assignments>> C :: 179.74 CA :: 61.482 CB :: 38.051 CD2 :: 133.257 CE2 :: 118.493 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.987 HA :: 4.006 HB2 :: 3.087 HB3 :: 3.14 HD2 :: 6.905 HE2 :: 6.866 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 :: 115.147 Ave N Shift Values>> N :: 120.79(4.69) F43 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.45 Y 0.31 F 0.22 C Shift Assignments>> C :: 179.527 CA :: 57.803 CB :: 36.845 CD2 :: 129.867 CE2 :: 131.954 CZ :: 130.114 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 :: 8.363 HA :: 4.737 HB2 :: 3.435 HB3 :: 3.998(M) HD2 :: 7.118 HE2 :: 7.55 HZ :: 7.611 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 :: 123.815 Ave N Shift Values>> N :: 120.69(4.18) M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.37 A 0.02 C Shift Assignments>> C :: 180.027 CA :: 57.756 CB :: 29.57 CG :: 31.727 CE :: 16.41 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 :: 8.36 HA :: 4.489 HB2 :: 2.207 HB3 :: 2.207 HG2 :: 2.828 HG3 :: 2.828 HE :: 2.102 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.288 Ave N Shift Values>> N :: 120.1(3.88) K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.17 M 0.01 C Shift Assignments>> C :: 180.372 CA :: 59.675 CB :: 32.791 CG :: 25.395 CD :: 29.388 CE :: 41.89 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 :: 7.528 HA :: 4.27 HB2 :: 1.388 HB3 :: 1.592 HG2 :: 1.384 HG3 :: 1.451 HD2 :: 1.088 HD3 :: 1.371 HE2 :: 2.678 HE3 :: 2.678 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.249 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.75 T 0.24 C Shift Assignments>> C :: 176.726 CA :: 64.375 CB :: 63.463 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.25 HA :: 4.429 HB2 :: 4.097 HB3 :: 4.677 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 :: 116.611 Ave N Shift Values>> N :: 116.3(3.95) I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 177.988 CA :: 63.976 CB :: 35.768 CG1 :: 27.983 CG2 :: 17.017 CD1 :: 11.176 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 :: 8.207 HA :: 3.888 HB :: 2.461 HG2 :: 0.947 HG12 :: 1.626 HG13 :: 1.759 HD1 :: 0.606 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.667 Ave N Shift Values>> N :: 121.6(4.72) D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 C 0.16 K 0.1 L 0.08 I 0.07 D 0.05 R 0.01 C Shift Assignments>> C :: 180.274 CA :: 58.146 CB :: 40.603 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 :: 7.772 HA :: 4.503 HB2 :: 2.814 HB3 :: 3.056 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.489 Ave N Shift Values>> N :: 120.73(4.2) C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.41 C 0.06 V 0.03 W 0.02 C Shift Assignments>> CA :: 64.37 CB :: 28.152 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.886 HA :: 4.126 HB2 :: 2.489 HB3 :: 3.746 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 :: 116.483 Ave N Shift Values>> N :: 119.95(4.79) I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.74 CA :: 66.98 CB :: 38.524 CG1 :: 31.01 CG2 :: 19.232 CD1 :: 14.123 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 :: 8.83 HA :: 3.793 HB :: 2.231 HG2 :: 1.346 HG12 :: 1.269 HG13 :: 2.501 HD1 :: 1.159 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.688 Ave N Shift Values>> N :: 121.6(4.72) R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.36 G 0.17 K 0.06 C Shift Assignments>> C :: 178.808 CA :: 60.616 CB :: 30.604 CG :: 28.591 CD :: 43.699 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 :: 8.941 HA :: 3.91 HB2 :: 1.939 HB3 :: 1.993 HG2 :: 1.607 HG3 :: 1.924 HD2 :: 3.253 HD3 :: 3.253 HE :: 7.741 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 :: 119.627 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.3 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 179.321 CA :: 55.659 CB :: 18.558 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.785 HA :: 4.296 HB :: 1.675 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.838 Ave N Shift Values>> N :: 123.23(3.7) F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 F 0.33 Y 0.25 C Shift Assignments>> C :: 177.524 CA :: 57.443 CB :: 38.179 CD2 :: 130.034 CE2 :: 131.133 CZ :: 127.733 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 :: 8.167 HA :: 4.534 HB2 :: 3.103 HB3 :: 3.751 HD2 :: 7.204 HE2 :: 6.905 HZ :: 6.988 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.03 Ave N Shift Values>> N :: 120.69(4.18) R54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.11 G 0.09 HN Overlap>> L82 C Shift Assignments>> C :: 177.575 CA :: 60.515 CB :: 30.95 CG :: 28.174 CD :: 43.289 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 :: 8.4 HA :: 2.503(S) HB2 :: 1.087 HB3 :: 1.651 HG2 :: -0.186(S) HG3 :: 1.451 HD2 :: 2.487 HD3 :: 3.207 HE :: 7.383 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.649 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.17 M 0.05 K 0.03 Q 0.01 HN Overlap>> Q15 C Shift Assignments>> C :: 181.493 CA :: 59.354 CB :: 30.46 CG :: 36.545 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 :: 8.062 HA :: 3.911 HB2 :: 2.08 HB3 :: 2.267 HG2 :: 2.288 HG3 :: 2.595 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 :: 114.912 Ave N Shift Values>> N :: 120.68(3.68) E56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 E 0.29 K 0.16 Q 0.11 I 0.07 M 0.02 C Shift Assignments>> C :: 179.324 CA :: 57.663 CB :: 28.927 CG :: 35.609 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 :: 8.666 HA :: 4.791 HB2 :: 2.375 HB3 :: 2.694 HG2 :: 2.241 HG3 :: 3.002(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.486 Ave N Shift Values>> N :: 120.68(3.68) A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.24 I 0.07 C 0.03 V 0.01 C Shift Assignments>> C :: 180.541 CA :: 55.945 CB :: 18.179 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.32 HA :: 3.978 HB :: 1.471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.242 Ave N Shift Values>> N :: 123.23(3.7) I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> R10 C Shift Assignments>> C :: 179.299 CA :: 66.182 CB :: 38.633 CG1 :: 30.872 CG2 :: 16.836 CD1 :: 14.06 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 :: 7.525 HA :: 3.596 HB :: 1.897 HG2 :: 0.938 HG12 :: 0.739 HG13 :: 1.968 HD1 :: 0.861 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.634 Ave N Shift Values>> N :: 121.6(4.72) K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 M 0.01 G 0.01 C Shift Assignments>> C :: 178.744 CA :: 59.48 CB :: 32.621 CG :: 24.965 CD :: 29.21 CE :: 42.151 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 :: 7.324 HA :: 3.945 HB2 :: 1.695 HB3 :: 1.929 HG2 :: 1.244 HG3 :: 1.455 HD2 :: 1.685 HD3 :: 1.685 HE2 :: 2.896 HE3 :: 2.896 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.929 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.33 C 0.28 C Shift Assignments>> C :: 174.552 CA :: 58.823 CB :: 38.447 CD2 :: 132.273 CE2 :: 131.852 CZ :: 129.905 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 :: 8.235 HA :: 4.532 HB2 :: 2.442 HB3 :: 3.357 HD2 :: 7.732 HE2 :: 7.572 HZ :: 7.239 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 :: 114.802 Ave N Shift Values>> N :: 120.69(4.18) S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.45 CA :: 59.679 CB :: 61 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.579 HA :: 4.446 HB2 :: 4.145 HB3 :: 4.269 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.009 Ave N Shift Values>> N :: 116.3(3.95) E62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.25 Q 0.24 C 0.24 M 0.13 R 0.07 E 0.03 HN Overlap>> T40 C Shift Assignments>> C :: 177.276 CA :: 54.427 CB :: 29.53 CG :: 32.943 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 :: 8.924 HA :: 4.627 HB2 :: 0.54(S) HB3 :: 2.42 HG2 :: 0.888(S) HG3 :: 1.821 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 :: 120.533 Ave N Shift Values>> N :: 120.68(3.68) E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.2 I 0.16 K 0.14 Q 0.11 R 0.01 P 0.01 C Shift Assignments>> C :: 178.071 CA :: 60.096 CB :: 28.387 CG :: 35.044 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 :: 10.057 HA :: 3.806 HB2 :: 1.677 HB3 :: 1.91 HG2 :: 1.992 HG3 :: 2.238 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.617 Ave N Shift Values>> N :: 120.68(3.68) Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.21 K 0.21 E 0.12 R 0.05 I 0.05 M 0.01 C Shift Assignments>> C :: 176.455 CA :: 59.174 CB :: 28.239 CG :: 34.145 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 :: 8.6 HA :: 4.103 HB2 :: 2.081 HB3 :: 2.081 HG2 :: 2.456 HG3 :: 2.456 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 :: 119.369 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.12 K 0.08 HN Overlap>> K76 C Shift Assignments>> C :: 180.411 CA :: 59.476 CB :: 30.79 CG :: 28.134 CD :: 43.681 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.853 HA :: 4.217 HB2 :: 2.253 HB3 :: 2.311 HG2 :: 1.776 HG3 :: 2.119 HD2 :: 3.347 HD3 :: 3.755 HE :: 7.937 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 :: 119.745 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 C 0.28 F 0.24 HN Overlap>> F9 H30 C Shift Assignments>> C :: 175.944 CA :: 62.158 CB :: 38.916 CD2 :: 133.868 CE2 :: 131.22 CZ :: 128.73 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.629 HA :: 3.58 HB2 :: 2.397 HB3 :: 2.884 HD2 :: 7.444 HE2 :: 5.689 HZ :: 6.925 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.515 Ave N Shift Values>> N :: 120.69(4.18) N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.21 Y 0.14 N 0.11 F 0.07 M 0.06 K 0.02 I 0.02 D 0.02 C Shift Assignments>> C :: 177.976 CA :: 55.641 CB :: 36.924 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 :: 8.708 HA :: 4.18 HB2 :: 2.623 HB3 :: 2.92 HD21 :: 7.128 HD22 :: 7.924 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 :: 120.507 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.18 E 0.15 N 0.13 F 0.11 D 0.04 M 0.03 I 0.03 K 0.01 L 0.01 C Shift Assignments>> C :: 178.817 CA :: 55.789 CB :: 37.566 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 :: 8.597 HA :: 4.404 HB2 :: 2.83 HB3 :: 2.945 HD21 :: 7.002 HD22 :: 7.697 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.002 ND2 :: 111.55 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 C 0.4 F 0.15 C Shift Assignments>> C :: 176.24 CA :: 60.102 CB :: 38 CD2 :: 133.803 CE2 :: 130.523 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.57 HA :: 4.488 HB2 :: 3.136 HB3 :: 3.485 HD2 :: 7.05 HE2 :: 7.249 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 :: 122.588 Ave N Shift Values>> N :: 120.69(4.18) L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.03 C Shift Assignments>> C :: 179.492 CA :: 57.698 CB :: 41.037 CG :: 26.804 CD1 :: 25.456 CD2 :: 23.295 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 :: 8.36 HA :: 3.351 HB2 :: 0.697 HB3 :: 1.437 HG :: 1.831 HD1 :: 0.754 HD2 :: 0.886 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 :: 123.021 Ave N Shift Values>> N :: 121.98(4.07) K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.34 R 0.25 G 0.01 C Shift Assignments>> C :: 179.219 CA :: 60.075 CB :: 32.667 CG :: 26.021 CD :: 29.604 CE :: 42.158 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 :: 7.839 HA :: 4.135 HB2 :: 1.825 HB3 :: 1.941 HG2 :: 1.429 HG3 :: 1.64 HD2 :: 1.685 HD3 :: 1.685 HE2 :: 2.887 HE3 :: 2.887 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 :: 117.175 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.41 I 0.02 C 0.02 C Shift Assignments>> C :: 180.898 CA :: 54.707 CB :: 17.877 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.595 HA :: 4.154 HB :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.164 Ave N Shift Values>> N :: 123.23(3.7) L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.44 R 0.07 C Shift Assignments>> C :: 178.079 CA :: 57.48 CB :: 41.229 CG :: 26.888 CD1 :: 23.014 CD2 :: 26.389 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 :: 8.611 HA :: 3.905 HB2 :: 0.946 HB3 :: 1.837 HG :: 1.692 HD1 :: 0.91 HD2 :: 1.106 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 :: 122.004 Ave N Shift Values>> N :: 121.98(4.07) Q74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 K 0.22 Q 0.21 R 0.09 E 0.07 I 0.03 P 0.02 M 0.01 C Shift Assignments>> C :: 177.949 CA :: 59.586 CB :: 28.113 CG :: 33.597 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 :: 7.964 HA :: 2.705(S) HB2 :: 1.701 HB3 :: 2.143 HG2 :: 1.261(S) HG3 :: 1.366 HE21 :: 6.175 HE22 :: 6.365 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 :: 118.835 NE2 :: 110.95 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.21 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.124 CA :: 59.377 CB :: 29.656 CG :: 36.517 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 :: 7.246 HA :: 3.865 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.167 HG3 :: 2.418 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.955 Ave N Shift Values>> N :: 120.68(3.68) K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.14 V 0.11 W 0.11 M 0.1 R 0.08 Q 0.07 E 0.07 H 0.06 I 0.01 HN Overlap>> R65 C Shift Assignments>> C :: 178.505 CA :: 58.957 CB :: 32.568 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 :: 7.84 HA :: 4.048 HB2 :: 1.972 HB3 :: 1.972 HG2 :: 1.44 HG3 :: 1.529 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.658 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> K17 C Shift Assignments>> C :: 178.162 CA :: 66.519 CB :: 31.111 CG1 :: 21.605 CG2 :: 23.245 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 :: 8.313 HA :: 3.466 HB :: 2.055 HG1 :: 0.9 HG2 :: 1.076 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 :: 118.056 Ave N Shift Values>> N :: 121.02(4.96) E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.18 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> C :: 180.354 CA :: 59.242 CB :: 29.293 CG :: 36.139 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.683 HA :: 4.037 HB2 :: 2.002 HB3 :: 2.002 HG2 :: 2.077 HG3 :: 2.316 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 :: 119.425 Ave N Shift Values>> N :: 120.68(3.68) I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.651 CA :: 64.395 CB :: 38.358 CG1 :: 29.062 CG2 :: 17.441 CD1 :: 13.36 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 :: 7.955 HA :: 3.884 HB :: 1.916 HG2 :: 0.959 HG12 :: 1.26 HG13 :: 1.678 HD1 :: 0.864 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 :: 120.579 Ave N Shift Values>> N :: 121.6(4.72) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.21 M 0.02 C Shift Assignments>> C :: 175.263 CA :: 56.197 CB :: 32.619 CG :: 25.795 CD :: 29.111 CE :: 41.79 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 :: 8.111 HA :: 4.276 HB2 :: 1.677 HB3 :: 2.046 HG2 :: 1.5 HG3 :: 1.621 HD2 :: 1.628 HD3 :: 1.628 HE2 :: 2.985 HE3 :: 2.985 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.383 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.29 Q 0.15 R 0.06 E 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 177.077 CA :: 56.797 CB :: 25.913 CG :: 34.382 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 :: 7.762 HA :: 4.016 HB2 :: 2.315 HB3 :: 2.421 HG2 :: 2.346 HG3 :: 2.346 HE21 :: 6.848 HE22 :: 7.682 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.49 NE2 :: 113.19 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.2 R 0.04 A 0.02 G 0.01 HN Overlap>> R54 C Shift Assignments>> C :: 178.42 CA :: 53.065 CB :: 42.008 CG :: 26.629 CD1 :: 26.284 CD2 :: 23.76 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 :: 8.351 HA :: 4.962 HB2 :: 1.674 HB3 :: 1.883 HG :: 1.617 HD1 :: 0.878 HD2 :: 0.966 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 :: 120.641 Ave N Shift Values>> N :: 121.98(4.07) N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.24 F 0.18 E 0.11 I 0.09 N 0.03 D 0.03 M 0.01 L 0.01 C Shift Assignments>> C :: 177.609 CA :: 57.421 CB :: 38.04 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 :: 8.411 HA :: 4.295 HB2 :: 2.769 HB3 :: 2.865 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 :: 119.921 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.38 H 0.32 C 0.28 C Shift Assignments>> C :: 177.45 CA :: 58.389 CB :: 28.891 CD2 :: 120.142 CE1 :: 139.013 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>> HA :: 4.666 HB2 :: 3.373 HB3 :: 3.373 HD1 :: 7.299 HE1 :: 8.21 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) F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.36 C 0.24 C Shift Assignments>> C :: 176.386 CA :: 60.204 CB :: 38.369 CD2 :: 131.73 CE2 :: 130.939 CZ :: 129.205 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.263 HA :: 3.932 HB2 :: 1.789 HB3 :: 2.697 HD1 :: 6.788 HE2 :: 7.241 HZ :: 6.931 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.945 Ave N Shift Values>> N :: 120.69(4.18) W86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.44 H 0.03 C Shift Assignments>> C :: 176.73 CA :: 59.381 CB :: 29.863 CD1 :: 128.02 CE3 :: 120 CZ2 :: 114.769 CZ3 :: 119.775 CH2 :: 123.459 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 :: 7.939 HA :: 3.854 HB2 :: 3.192 HB3 :: 3.318 HD1 :: 7.106 HE1 :: 10.133 HE3 :: 7.236 HZ2 :: 7.02 HZ3 :: 6.763 HH2 :: 6.971 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.211 NE1 :: 129.471 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.2 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.076 CA :: 59.165 CB :: 29.589 CG :: 36.56 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 :: 7.894 HA :: 3.868 HB2 :: 2.037 HB3 :: 2.161 HG2 :: 2.354 HG3 :: 2.475 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 :: 114.451 Ave N Shift Values>> N :: 120.68(3.68) I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.896 CA :: 64.88 CB :: 37.889 CG1 :: 28.185 CG2 :: 18.259 CD1 :: 14.404 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 :: 7.143 HA :: 3.547 HB :: 1.775 HG2 :: 0.854 HG12 :: 1.019 HG13 :: 1.806 HD1 :: 1.026 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.579 Ave N Shift Values>> N :: 121.6(4.72) V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.789 CA :: 67.19 CB :: 30.986 CG1 :: 20.507 CG2 :: 23.365 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.735 HA :: 2.9 HB :: 1.175 HG1 :: 0.097 HG2 :: 0.042 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 :: 121.766 Ave N Shift Values>> N :: 121.02(4.96) V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 180.647 CA :: 65.967 CB :: 31.929 CG1 :: 22.548 CG2 :: 21.25 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 :: 7.761 HA :: 3.352 HB :: 1.821 HG1 :: 0.619 HG2 :: 0.822 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.901 Ave N Shift Values>> N :: 121.02(4.96) Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.22 E 0.13 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 178.163 CA :: 58.722 CB :: 28.318 CG :: 34.209 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 :: 8.102 HA :: 3.933 HB2 :: 2.117 HB3 :: 2.117 HG2 :: 2.45 HG3 :: 2.45 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 :: 120.772 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 D 0.19 K 0.18 C 0.11 F 0.1 Y 0.08 R 0.06 N 0.04 C Shift Assignments>> C :: 176.334 CA :: 55.368 CB :: 41.463 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 :: 8.084 HA :: 4.535 HB2 :: 2.524 HB3 :: 2.59 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 :: 118.286 Ave N Shift Values>> N :: 120.73(4.2) G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 175.49 CA :: 45.932 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.944 HA2 :: 3.526 HA3 :: 3.914 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.156 Ave N Shift Values>> N :: 109.91(4.29) I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 171.9 CA :: 62.322 CB :: 37.355 CG1 :: 27.976 CG2 :: 17.852 CD1 :: 14.228 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.211 HA :: 3.674 HB :: 1.826 HG2 :: 0.924 HG12 :: 1.088 HG13 :: 1.661 HD1 :: 0.956 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 :: 122.038 Ave N Shift Values>> N :: 121.6(4.72) T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 T 0.32 C 0.29 C Shift Assignments>> C :: 174.809 CA :: 57.19 CB :: 71.4 CG2 :: 19.707 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 :: 7.341 HA :: 4.835 HB :: 4.096 HG2 :: 1.253 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.892 Ave N Shift Values>> N :: 115.7(5.05) L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.32 G 0.16 A 0.06 K 0.04 C Shift Assignments>> C :: 176.465 CA :: 54.86 CB :: 43.529 CD1 :: 22.783 CD2 :: 26.422 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 :: 8.08 HA :: 3.968 HB2 :: 1.137 HB3 :: 1.223 HD1 :: 0.356 HD2 :: 0.612 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 :: 121.425 Ave N Shift Values>> N :: 121.98(4.07) I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 178.982 CA :: 62.021 CB :: 39.386 CG1 :: 28.108 CG2 :: 19.646 CD1 :: 16.1 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 :: 9.943 HA :: 4.171 HB :: 1.634 HG2 :: 0.932 HG12 :: 0.586 HG13 :: 1.842 HD1 :: 0.79 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 :: 122.882 Ave N Shift Values>> N :: 121.6(4.72) T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 C 0.45 C Shift Assignments>> C :: 175.873 CA :: 61.038 CB :: 72.888 CG2 :: 22.922 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 :: 8.791 HA :: 4.535 HB :: 4.562 HG2 :: 1.113 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 :: 122.099 Ave N Shift Values>> N :: 115.7(5.05) K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.06 C Shift Assignments>> C :: 177.596 CA :: 57.758 CB :: 32.663 CG :: 23.783 CE :: 41.992 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 :: 8.696 HA :: 4.511 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 1.394 HG3 :: 1.491 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 3.014 HE3 :: 3.014 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.025 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.36 E 0.33 I 0.23 K 0.03 M 0.01 C Shift Assignments>> C :: 178.03 CA :: 58.592 CB :: 29.393 CG :: 37.297 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>> HA :: 4.052 HB2 :: 1.906 HB3 :: 1.978 HG2 :: 2.256 HG3 :: 2.347 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) E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 E 0.22 M 0.1 I 0.04 C Shift Assignments>> C :: 176.756 CA :: 57.368 CB :: 32.693 CG :: 37.685 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 :: 7.472 HA :: 4.141 HB2 :: 1.926 HB3 :: 2.326 HG2 :: 2.098 HG3 :: 2.296 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 :: 118.082 Ave N Shift Values>> N :: 120.68(3.68) A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.18 L 0.17 C 0.09 C Shift Assignments>> C :: 176.816 CA :: 52.239 CB :: 21.526 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.018 HA :: 4.535 HB :: 1.312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.921 Ave N Shift Values>> N :: 123.23(3.7) S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.586 CA :: 61.16 CB :: 63.452 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.576 HA :: 4.319 HB2 :: 3.96 HB3 :: 3.96 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 :: 117.543 Ave N Shift Values>> N :: 116.3(3.95) G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 175.357 CA :: 45.593 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.459 HA2 :: 3.829 HA3 :: 4.132 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.556 Ave N Shift Values>> N :: 109.91(4.29) S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.84 CA :: 56.311 CB :: 64.147 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.733 HA :: 4.51 HB2 :: 3.456 HB3 :: 3.734 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.376 Ave N Shift Values>> N :: 116.3(3.95) S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.921 CA :: 57.944 CB :: 64.158 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.658 HA :: 4.62 HB2 :: 3.926 HB3 :: 4.02 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 :: 119.803 Ave N Shift Values>> N :: 116.3(3.95) V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 176.508 CA :: 62.664 CB :: 32.738 CG1 :: 21.849 CG2 :: 22.212 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 :: 8.375 HA :: 4.046 HB :: 1.996 HG1 :: 0.92 HG2 :: 0.938 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 :: 125.665 Ave N Shift Values>> N :: 121.02(4.96) T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 HN Overlap>> K17 C Shift Assignments>> C :: 175.979 CA :: 60.612 CB :: 71.772 CG2 :: 22.067 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 :: 8.315 HA :: 4.622 HB :: 4.785 HG2 :: 1.366 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 :: 118.241 Ave N Shift Values>> N :: 115.7(5.05) A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.27 I 0.06 C 0.03 C Shift Assignments>> C :: 180.982 CA :: 55.715 CB :: 18.059 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.407 HA :: 4.128 HB :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.146 Ave N Shift Values>> N :: 123.23(3.7) E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.26 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.316 CA :: 59.696 CB :: 29.348 CG :: 36.603 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 :: 8.611 HA :: 4.031 HB2 :: 1.963 HB3 :: 2.102 HG2 :: 2.325 HG3 :: 2.325 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.862 Ave N Shift Values>> N :: 120.68(3.68) E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.35 I 0.21 M 0.03 K 0.03 C Shift Assignments>> C :: 179.863 CA :: 59.202 CB :: 30.144 CG :: 36.93 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 :: 7.872 HA :: 3.988 HB2 :: 1.967 HB3 :: 2.304 HG2 :: 2.19 HG3 :: 2.356 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.508 Ave N Shift Values>> N :: 120.68(3.68) A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.43 C 0.03 I 0.02 C Shift Assignments>> C :: 180.142 CA :: 54.859 CB :: 18.605 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.307 HA :: 3.978 HB :: 1.446 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.705 Ave N Shift Values>> N :: 123.23(3.7) K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.48 M 0.03 C Shift Assignments>> C :: 179.629 CA :: 58.959 CB :: 32.308 CG :: 25.046 CD :: 29.334 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 :: 7.963 HA :: 4.211 HB2 :: 1.921 HB3 :: 1.921 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 :: 119.916 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.2 M 0.02 C Shift Assignments>> C :: 178.455 CA :: 58.472 CB :: 32.308 CG :: 25.217 CD :: 29.311 CE :: 42.112 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 :: 8.107 HA :: 4.061 HB2 :: 1.926 HB3 :: 1.926 HG2 :: 1.561 HG3 :: 1.561 HD2 :: 1.711 HD3 :: 1.711 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.496 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.37 C 0.21 C Shift Assignments>> CA :: 60.927 CB :: 39.441 CD2 :: 132.658 CE2 :: 131.097 CZ :: 128.821 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.849 HA :: 4.271 HB2 :: 3.15 HB3 :: 3.258 HD2 :: 7.432 HE2 :: 7.322 HZ :: 7.235 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.344 Ave N Shift Values>> N :: 120.69(4.18) L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.5 C 0.24 R 0.09 G 0.09 A 0.05 C Shift Assignments>> C :: 176.713 CA :: 54.494 CB :: 43.276 CG :: 26.955 CD1 :: 22.81 CD2 :: 25.457 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>> HA :: 4.366 HB2 :: 1.74 HB3 :: 1.802 HG :: 1.836 HD1 :: 0.888 HD2 :: 0.904 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) A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 175.206 CA :: 50.625 CB :: 18.389 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.586 HA :: 4.593 HB :: 1.4 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.088 Ave N Shift Values>> N :: 123.23(3.7) P118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.466 CA :: 63.176 CB :: 32.217 CG :: 27.32 CD :: 50.404 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 :: 4.466 HB2 :: 1.935 HB3 :: 2.32 HG2 :: 2.018 HG3 :: 2.018 HD2 :: 3.622 HD3 :: 3.75 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) K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 175.9 CA :: 56.189 CB :: 33.032 CG :: 24.675 CD :: 28.947 CE :: 42.134 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 :: 8.452 HA :: 4.294 HB2 :: 1.709 HB3 :: 1.843 HG2 :: 1.421 HG3 :: 1.421 HD2 :: 1.628 HD3 :: 1.628 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 :: 121.808 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 R 0.17 D 0.12 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> C :: 180.886 CA :: 55.851 CB :: 42.337 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 :: 7.859 HA :: 4.341 HB2 :: 2.535 HB3 :: 2.634 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 :: 126.82 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 114 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 120 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 0 C Shift Results: #Consistent: 535 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 710 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 1 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: L27 HD1 = -0.201(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2278e-04 F43 HB3 = 3.998(M), Expected = 2.97, Std = 0.3800, ChiSquare = 6.8250e-03 R54 HA = 2.503(S), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9217e-05 R54 HG2 = -0.186(S), Expected = 1.58, Std = 0.2700, ChiSquare = 6.1215e-11 E56 HG3 = 3.002(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.8338e-04 E62 HB2 = 0.54(S), Expected = 2.04, Std = 0.2200, ChiSquare = 9.2200e-12 E62 HG2 = 0.888(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.2752e-11 Q74 HA = 2.705(S), Expected = 4.28, Std = 0.4400, ChiSquare = 3.4419e-04 Q74 HG2 = 1.261(S), Expected = 2.32, Std = 0.2900, ChiSquare = 2.6049e-04