G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.159 CA :: 58.712 CB :: 63.677 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.532 HB2 :: 3.894 HB3 :: 3.894 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) G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 HN Overlap>> G7 C Shift Assignments>> C :: 174.357 CA :: 45.454 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.478 HA2 :: 4.034 HA3 :: 4.034 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.988 Ave N Shift Values>> N :: 109.91(4.29) S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.867 CA :: 58.447 CB :: 64.086 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.291 HA :: 4.529 HB2 :: 3.903 HB3 :: 3.903 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 :: 115.801 Ave N Shift Values>> N :: 116.3(3.95) S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.171 CA :: 58.641 CB :: 63.861 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 :: 4.494 HB2 :: 3.909 HB3 :: 3.909 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 :: 117.999 Ave N Shift Values>> N :: 116.3(3.95) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 HN Overlap>> G4 C Shift Assignments>> C :: 174.017 CA :: 45.437 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.425 HA2 :: 3.957 HA3 :: 3.957 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.902 Ave N Shift Values>> N :: 109.91(4.29) A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.19 C 0.02 HN Overlap>> R10 C Shift Assignments>> C :: 177.866 CA :: 52.506 CB :: 19.403 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.127 HA :: 4.342 HB :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.656 Ave N Shift Values>> N :: 123.23(3.7) S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.187 CA :: 58.271 CB :: 63.785 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.247 HA :: 4.408 HB2 :: 3.840 HB3 :: 3.840 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 :: 115.216 Ave N Shift Values>> N :: 116.3(3.95) R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.3 K 0.1 G 0.08 L 0.04 HN Overlap>> A8 C Shift Assignments>> C :: 173.993 CA :: 54.304 CB :: 30.011 CG :: 26.621 CD :: 43.326 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 :: 8.202 HA :: 4.478 HB2 :: 1.666 HB3 :: 1.623 HG2 :: 1.505 HG3 :: 1.505 HD2 :: 3.107 HD3 :: 3.045 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.578 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.393 CA :: 63.304 CB :: 31.869 CG :: 27.365 CD :: 50.297 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 :: 4.237 HB2 :: 2.162 HB3 :: 1.599 HG2 :: 1.821 HG3 :: 1.721 HD2 :: 3.577 HD3 :: 3.183 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) H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.27 C Shift Assignments>> C :: 175.899 CA :: 56.720 CB :: 29.268 CD2 :: 119.895 CE1 :: 137.087 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.499 HA :: 4.397 HB2 :: 3.063 HB3 :: 2.990 HD2 :: 7.127 HE1 :: 8.475 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 :: 119.880 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.25 Q 0.25 E 0.09 R 0.07 M 0.06 C Shift Assignments>> C :: 176.397 CA :: 57.513 CB :: 29.058 CG :: 33.435 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 :: 8.347 HA :: 4.071 HB2 :: 1.832 HB3 :: 1.756 HG2 :: 2.019 HG3 :: 1.939 HE21 :: 7.130 HE22 :: 6.798 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 :: 121.344 NE2 :: 111.906 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.4 C Shift Assignments>> C :: 177.975 CA :: 57.425 CB :: 28.146 CD1 :: 125.164 CE3 :: 121.936 CZ2 :: 114.094 CZ3 :: 121.578 CH2 :: 124.269 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 :: 8.574 HA :: 4.813 HB2 :: 3.289 HB3 :: 3.002 HD1 :: 6.955 HE1 :: 10.244 HE3 :: 7.399 HZ2 :: 7.297 HH2 :: 6.985 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 :: 120.046 NE1 :: 128.642 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.23 Q 0.22 E 0.11 R 0.06 I 0.03 M 0.02 C Shift Assignments>> C :: 178.571 CA :: 59.170 CB :: 28.498 CG :: 33.874 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 :: 8.097 HA :: 4.210 HB2 :: 2.200 HB3 :: 2.150 HG2 :: 2.425 HG3 :: 2.425 HE21 :: 7.603 HE22 :: 6.840 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.087 NE2 :: 112.239 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T16 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 :: 177.198 CA :: 64.952 CB :: 68.576 CG2 :: 21.974 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 :: 8.271 HA :: 4.203 HB :: 4.371 HG2 :: 1.302 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 :: 112.997 Ave N Shift Values>> N :: 115.7(5.05) D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 C 0.18 D 0.09 L 0.07 I 0.06 N 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 177.281 CA :: 57.301 CB :: 39.739 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 :: 8.185 HA :: 4.468 HB2 :: 3.048 HB3 :: 2.720 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 :: 123.766 Ave N Shift Values>> N :: 120.73(4.2) E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.32 E 0.26 K 0.04 C Shift Assignments>> C :: 178.571 CA :: 60.404 CB :: 29.223 CG :: 36.649 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 :: 7.984 HA :: 3.890 HB2 :: 2.313 HB3 :: 2.263 HG2 :: 2.473 HG3 :: 2.414 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 :: 119.639 Ave N Shift Values>> N :: 120.68(3.68) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 I 0.13 K 0.1 Q 0.06 M 0.02 C Shift Assignments>> C :: 179.736 CA :: 58.870 CB :: 29.333 CG :: 35.931 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 :: 7.812 HA :: 4.165 HB2 :: 2.127 HB3 :: 2.073 HG2 :: 2.361 HG3 :: 2.299 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 :: 118.424 Ave N Shift Values>> N :: 120.68(3.68) G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.24 P 0.03 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 176.372 CA :: 47.499 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.316 HA2 :: 3.863 HA3 :: 3.798 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.825 Ave N Shift Values>> N :: 109.91(4.29) V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.376 CA :: 65.499 CB :: 31.899 CG1 :: 22.115 CG2 :: 20.693 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 :: 8.628 HA :: 4.113 HB :: 2.112 HG1 :: 1.008 HG2 :: 0.738 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 :: 121.815 Ave N Shift Values>> N :: 121.02(4.96) R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.36 K 0.15 G 0.07 HN Overlap>> R146 C Shift Assignments>> C :: 178.254 CA :: 59.487 CB :: 30.693 CG :: 29.150 CD :: 43.241 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 :: 7.681 HA :: 4.022 HB2 :: 2.032 HB3 :: 2.032 HG2 :: 1.836 HG3 :: 1.564 HD2 :: 3.226 HD3 :: 3.226 HE :: 6.850 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.029 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.571 CA :: 61.573 CB :: 70.784 CG2 :: 21.794 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 :: 7.860 HA :: 4.489 HB :: 4.472 HG2 :: 1.277 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 :: 106.307 Ave N Shift Values>> N :: 115.7(5.05) G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 174.381 CA :: 46.858 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.829 HA2 :: 4.147 HA3 :: 3.989 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.241 Ave N Shift Values>> N :: 109.91(4.29) K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.36 R 0.13 M 0.02 G 0.01 HN Overlap>> E48 C Shift Assignments>> C :: 175.280 CA :: 55.044 CB :: 33.731 CG :: 24.605 CD :: 28.985 CE :: 42.170 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 :: 8.369 HA :: 4.736 HB2 :: 2.030 HB3 :: 1.569 HG2 :: 1.372 HG3 :: 1.372 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.976 HE3 :: 2.976 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 :: 118.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 I 0.14 C 0.13 W 0.1 K 0.1 Q 0.1 L 0.07 H 0.07 E 0.06 C Shift Assignments>> C :: 172.451 CA :: 58.835 CB :: 27.410 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.857 HA :: 4.252 HB2 :: 2.997 HB3 :: 2.304 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 :: 122.319 Ave N Shift Values>> N :: 119.95(4.79) S27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.391 CA :: 55.785 CB :: 65.183 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.499 HA :: 4.906 HB2 :: 2.138(S) HB3 :: 1.594(S) 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 :: 122.614 Ave N Shift Values>> N :: 116.3(3.95) F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 C 0.35 G 0.15 C Shift Assignments>> C :: 173.605 CA :: 54.339 CB :: 43.113 CD1 :: 132.721 CD2 :: 132.721 CE1 :: 130.035 CE2 :: 130.035 CZ :: 128.771 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 :: 8.547 HA :: 5.023 HB2 :: 2.809 HB3 :: 2.339 HD1 :: 6.915 HD2 :: 6.915 HE1 :: 6.660 HE2 :: 6.660 HZ :: 6.648 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.178 Ave N Shift Values>> N :: 120.69(4.18) P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.563 CA :: 62.996 CB :: 31.533 CG :: 27.667 CD :: 50.905 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 :: 4.991 HB2 :: 2.471 HB3 :: 2.019 HG2 :: 2.346 HG3 :: 2.176 HD2 :: 3.941 HD3 :: 3.941 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) V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.18 V 0.02 C Shift Assignments>> C :: 174.528 CA :: 59.664 CB :: 38.344 CG1 :: 22.475 CG2 :: 19.037 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 :: 9.088 HA :: 5.285 HB :: 2.330 HG1 :: 0.901 HG2 :: 0.932 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 :: 116.758 Ave N Shift Values>> N :: 121.02(4.96) K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.26 K 0.16 G 0.15 M 0.02 C Shift Assignments>> C :: 176.142 CA :: 55.168 CB :: 33.164 CG :: 25.404 CD :: 29.280 CE :: 43.941 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.399 HA :: 4.976 HB2 :: 1.771 HB3 :: 1.424 HG2 :: 1.431 HG3 :: 1.217 HD2 :: 1.632 HD3 :: 1.576 HE2 :: 2.834 HE3 :: 2.781 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 :: 119.660 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.232 CA :: 56.244 CB :: 38.521 CD1 :: 132.761 CD2 :: 132.761 CE1 :: 118.593 CE2 :: 118.593 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.691 HA :: 4.838 HB2 :: 3.007 HB3 :: 2.679 HD1 :: 6.553 HD2 :: 6.553 HE1 :: 6.664 HE2 :: 6.664 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 :: 125.457 Ave N Shift Values>> N :: 120.79(4.69) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.3 R 0.14 A 0.02 G 0.01 C Shift Assignments>> C :: 175.256 CA :: 55.824 CB :: 42.317 CG :: 27.695 CD1 :: 25.154 CD2 :: 22.814 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 :: 8.473 HA :: 3.922 HB2 :: 1.199 HB3 :: 1.128 HG :: 1.395 HD1 :: 0.612 HD2 :: 0.615 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 :: 128.901 Ave N Shift Values>> N :: 121.98(4.07) G34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 169.890 CA :: 43.374 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.495(S) HA2 :: 4.150 HA3 :: 2.741 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.029 Ave N Shift Values>> N :: 109.91(4.29) H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 C 0.35 W 0.25 C Shift Assignments>> C :: 173.326 CA :: 52.294 CB :: 31.352 CD2 :: 121.162 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 :: 7.698 HA :: 5.837 HB2 :: 2.429 HB3 :: 2.076 HD2 :: 7.038 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 :: 112.204 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.24 I 0.02 C Shift Assignments>> C :: 174.114 CA :: 59.346 CB :: 36.238 CG1 :: 21.760 CG2 :: 20.085 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 :: 8.526 HA :: 4.456 HB :: 2.008 HG1 :: 0.777 HG2 :: 0.791 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 :: 114.358 Ave N Shift Values>> N :: 121.02(4.96) E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.09 K 0.07 M 0.05 Q 0.02 C Shift Assignments>> C :: 176.458 CA :: 57.089 CB :: 29.833 CG :: 36.698 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 :: 8.577 HA :: 4.876 HB2 :: 1.985 HB3 :: 1.985 HG2 :: 2.516 HG3 :: 2.303 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.710 Ave N Shift Values>> N :: 120.68(3.68) V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 I 0.19 V 0.06 A 0.01 HN Overlap>> D39 C Shift Assignments>> C :: 175.911 CA :: 59.311 CB :: 36.191 CG1 :: 23.655 CG2 :: 18.857 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 :: 8.674 HA :: 4.825 HB :: 2.238 HG1 :: 0.795 HG2 :: 0.783 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 :: 116.765 Ave N Shift Values>> N :: 121.02(4.96) D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.17 K 0.17 D 0.13 C 0.1 F 0.07 Y 0.05 N 0.01 G 0.01 HN Overlap>> V38 C Shift Assignments>> C :: 175.917 CA :: 55.519 CB :: 42.445 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 :: 8.628 HA :: 4.825 HB2 :: 2.856 HB3 :: 2.606 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 :: 116.793 Ave N Shift Values>> N :: 120.73(4.2) E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 M 0.12 E 0.04 C Shift Assignments>> C :: 173.329 CA :: 54.045 CB :: 34.694 CG :: 36.341 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 :: 6.974 HA :: 4.284 HB2 :: 2.020 HB3 :: 1.501 HG2 :: 2.196 HG3 :: 2.121 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.676 Ave N Shift Values>> N :: 120.68(3.68) S41 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.218 CA :: 58.289 CB :: 63.128 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.422 HA :: 2.831(S) HB2 :: 1.506(S) HB3 :: 1.306(M) 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 :: 109.737 Ave N Shift Values>> N :: 116.3(3.95) R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.27 R 0.25 G 0.08 C Shift Assignments>> C :: 173.073 CA :: 54.089 CB :: 32.440 CG :: 25.193 CD :: 43.239 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 :: 6.697 HA :: 3.593 HB2 :: 1.521 HB3 :: 1.009 HG2 :: 1.296 HG3 :: 1.092 HD2 :: 3.034 HD3 :: 3.034 HE :: 7.101 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 :: 112.953 NE :: 84.309 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G43 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.43 L 0.21 R 0.17 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.459 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 3.295(S) HA2 :: 4.099 HA3 :: 3.283 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.386 Ave N Shift Values>> N :: 109.91(4.29) SRO Rule Breaks>> (H > HA2 : 0.9980) M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.41 I 0.01 C Shift Assignments>> CA :: 60.227 CB :: 32.729 CG :: 32.829 CE :: 17.218 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 :: 9.307 HA :: 4.073 HB2 :: 2.202 HB3 :: 2.202 HG2 :: 2.832 HG3 :: 2.706 HE :: 2.199 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 :: 129.677 Ave N Shift Values>> N :: 120.1(3.88) H45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.37 H 0.33 C 0.28 C Shift Assignments>> C :: 176.970 CA :: 58.527 CB :: 28.333 CD2 :: 119.512 CE1 :: 138.292 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.867 HA :: 4.470 HB2 :: 3.210 HB3 :: 3.102 HD2 :: 7.128 HE1 :: 8.118 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) I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 178.905 CA :: 61.749 CB :: 35.617 CG1 :: 26.577 CG2 :: 17.423 CD1 :: 10.322 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 :: 6.383 HA :: 3.678 HB :: 1.872 HG2 :: 0.747 HG12 :: 0.992 HG13 :: 0.689 HD1 :: 0.577 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 :: 120.866 Ave N Shift Values>> N :: 121.6(4.72) C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 I 0.4 C 0.07 W 0.02 R 0.02 C Shift Assignments>> C :: 175.989 CA :: 62.929 CB :: 27.328 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.017 HA :: 4.208 HB2 :: 3.139 HB3 :: 3.084 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.304 Ave N Shift Values>> N :: 119.95(4.79) E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.18 K 0.05 M 0.03 Q 0.01 HN Overlap>> K25 C Shift Assignments>> C :: 180.363 CA :: 58.714 CB :: 29.732 CG :: 36.777 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 :: 8.380 HA :: 4.185 HB2 :: 2.084 HB3 :: 1.946 HG2 :: 2.644 HG3 :: 2.533 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 :: 118.864 Ave N Shift Values>> N :: 120.68(3.68) D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.16 F 0.15 C 0.12 Y 0.12 D 0.1 R 0.07 I 0.02 N 0.01 C Shift Assignments>> C :: 177.587 CA :: 56.997 CB :: 41.428 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 :: 7.767 HA :: 4.426 HB2 :: 2.749 HB3 :: 2.597 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 :: 118.885 Ave N Shift Values>> N :: 120.73(4.2) A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.23 C 0.05 I 0.04 V 0.04 T 0.01 L 0.01 C Shift Assignments>> C :: 178.340 CA :: 56.155 CB :: 19.306 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.625 HA :: 3.834 HB :: 1.351 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.173 Ave N Shift Values>> N :: 123.23(3.7) V51 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 :: 178.376 CA :: 67.104 CB :: 32.012 CG1 :: 21.699 CG2 :: 23.632 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 :: 8.110 HA :: 3.272 HB :: 2.185 HG1 :: 0.597 HG2 :: 1.070 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 :: 118.421 Ave N Shift Values>> N :: 121.02(4.96) K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.32 R 0.26 G 0.01 C Shift Assignments>> C :: 179.942 CA :: 60.439 CB :: 32.648 CG :: 26.101 CD :: 29.727 CE :: 42.125 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 :: 7.533 HA :: 3.793 HB2 :: 2.014 HB3 :: 1.927 HG2 :: 1.803 HG3 :: 1.502 HD2 :: 1.753 HD3 :: 1.753 HE2 :: 2.974 HE3 :: 2.974 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 :: 117.552 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.31 G 0.28 K 0.01 C Shift Assignments>> C :: 179.986 CA :: 59.617 CB :: 30.481 CG :: 27.749 CD :: 44.447 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 :: 8.374 HA :: 4.013 HB2 :: 1.926 HB3 :: 1.823 HG2 :: 1.833 HG3 :: 1.556 HD2 :: 3.133 HD3 :: 3.133 HE :: 7.183 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.246 NE :: 84.614 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.36 R 0.11 HN Overlap>> A70 C Shift Assignments>> C :: 180.816 CA :: 57.689 CB :: 41.764 CG :: 27.134 CD1 :: 25.891 CD2 :: 22.623 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 :: 8.410 HA :: 3.975 HB2 :: 1.626 HB3 :: 1.057 HG :: 1.389 HD1 :: 0.316 HD2 :: 0.543 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 :: 120.642 Ave N Shift Values>> N :: 121.98(4.07) K55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.11 M 0.01 C Shift Assignments>> C :: 178.485 CA :: 59.099 CB :: 31.963 CG :: 25.030 CD :: 28.903 CE :: 41.113 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 :: 8.529 HA :: 3.939 HB2 :: 1.736 HB3 :: 1.736 HG2 :: 1.344 HG3 :: 1.267 HD2 :: 1.190 HD3 :: 1.190 HE2 :: 2.424 HE3 :: 2.237(S) 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 :: 121.025 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.34 C 0.02 C Shift Assignments>> C :: 178.995 CA :: 53.843 CB :: 18.868 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.674 HA :: 4.267 HB :: 1.511 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.286 Ave N Shift Values>> N :: 123.23(3.7) T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.385 CA :: 63.295 CB :: 70.516 CG2 :: 21.479 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 :: 7.557 HA :: 4.248 HB :: 4.297 HG2 :: 1.364 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 :: 108.033 Ave N Shift Values>> N :: 115.7(5.05) G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 174.564 CA :: 46.036 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.788 HA2 :: 4.011 HA3 :: 3.822 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.053 Ave N Shift Values>> N :: 109.91(4.29) K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.21 M 0.03 G 0.01 C Shift Assignments>> C :: 176.883 CA :: 56.226 CB :: 32.752 CG :: 25.030 CD :: 29.465 CE :: 42.252 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 :: 7.846 HA :: 4.203 HB2 :: 1.739 HB3 :: 1.667 HG2 :: 1.380 HG3 :: 1.380 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 2.992 HE3 :: 2.992 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 :: 120.828 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 176.336 CA :: 56.473 CB :: 32.670 CG :: 24.877 CD :: 29.232 CE :: 42.087 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 :: 8.431 HA :: 4.188 HB2 :: 1.761 HB3 :: 1.761 HG2 :: 1.496 HG3 :: 1.496 HD2 :: 2.016 HD3 :: 2.016 HE2 :: 3.040 HE3 :: 3.040 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 :: 123.589 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.14 C 0.05 L 0.04 C Shift Assignments>> C :: 177.053 CA :: 51.607 CB :: 20.671 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.444 HA :: 4.366 HB :: 1.186 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.535 Ave N Shift Values>> N :: 123.23(3.7) V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.36 C Shift Assignments>> C :: 176.372 CA :: 61.497 CB :: 34.898 CG1 :: 21.492 CG2 :: 21.320 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 :: 7.962 HA :: 4.346 HB :: 2.183 HG1 :: 1.130 HG2 :: 1.152 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.202 Ave N Shift Values>> N :: 121.02(4.96) K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.23 M 0.02 C Shift Assignments>> C :: 176.142 CA :: 57.936 CB :: 31.887 CG :: 25.496 CD :: 29.232 CE :: 42.080 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 :: 8.880 HA :: 4.519 HB2 :: 1.998 HB3 :: 1.824 HG2 :: 1.598 HG3 :: 1.469 HD2 :: 1.785 HD3 :: 1.785 HE2 :: 3.046 HE3 :: 2.883 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 :: 128.265 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.19 P 0.17 K 0.12 R 0.05 M 0.02 H 0.01 Q 0.01 A 0.01 C Shift Assignments>> C :: 175.086 CA :: 51.431 CB :: 24.778 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.366 HA :: 5.396 HB :: 1.267 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.786 Ave N Shift Values>> N :: 123.23(3.7) V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 HN Overlap>> F105 C Shift Assignments>> C :: 174.454 CA :: 62.184 CB :: 34.786 CG1 :: 21.663 CG2 :: 21.874 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 :: 9.018 HA :: 4.496 HB :: 1.961 HG1 :: 0.264 HG2 :: 0.885 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.913 Ave N Shift Values>> N :: 121.02(4.96) L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.29 C 0.18 R 0.03 A 0.02 C Shift Assignments>> C :: 174.309 CA :: 53.388 CB :: 44.866 CG :: 27.500 CD1 :: 23.556 CD2 :: 25.737 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 :: 8.863 HA :: 5.119 HB2 :: 1.872 HB3 :: 1.063 HG :: 1.285 HD1 :: 0.611 HD2 :: 0.200 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 :: 128.931 Ave N Shift Values>> N :: 121.98(4.07) W67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.39 H 0.02 C Shift Assignments>> C :: 176.101 CA :: 55.006 CB :: 30.012 CD1 :: 125.685 CE3 :: 120.877 CZ2 :: 114.303 CZ3 :: 121.680 CH2 :: 124.687 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 :: 9.807 HA :: 4.648 HB2 :: 3.264 HB3 :: 3.072 HD1 :: 6.964 HE1 :: 10.055 HE3 :: 7.394 HZ2 :: 7.396 HH2 :: 7.122 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 :: 129.061 NE1 :: 129.006 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 173.726 CA :: 61.799 CB :: 33.688 CG1 :: 22.200 CG2 :: 20.330 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 :: 8.078 HA :: 4.398 HB :: 1.886 HG1 :: 0.652 HG2 :: 0.714 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.200 Ave N Shift Values>> N :: 121.02(4.96) S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.57 T 0.42 C Shift Assignments>> C :: 173.422 CA :: 56.614 CB :: 67.217 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.516 HA :: 5.374 HB2 :: 4.366 HB3 :: 4.047 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 :: 122.119 Ave N Shift Values>> N :: 116.3(3.95) A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.38 C 0.03 I 0.01 HN Overlap>> L54 C Shift Assignments>> C :: 176.591 CA :: 54.146 CB :: 18.858 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.328 HA :: 4.066 HB :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.631 Ave N Shift Values>> N :: 123.23(3.7) D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.2 K 0.15 R 0.11 C 0.1 F 0.06 Y 0.04 N 0.03 C Shift Assignments>> C :: 177.113 CA :: 54.409 CB :: 42.128 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 :: 7.909 HA :: 4.736 HB2 :: 2.730 HB3 :: 2.446 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 :: 111.425 Ave N Shift Values>> N :: 120.73(4.2) G72 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 :: 170.861 CA :: 45.935 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.661 HA2 :: 4.713 HA3 :: 3.729 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.370 Ave N Shift Values>> N :: 109.91(4.29) L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.2 G 0.19 R 0.11 HN Overlap>> K79 C Shift Assignments>> C :: 175.705 CA :: 52.795 CB :: 43.638 CG :: 27.552 CD1 :: 25.323 CD2 :: 25.937 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 :: 8.613 HA :: 5.406 HB2 :: 1.505 HB3 :: 1.212 HG :: 1.393 HD1 :: 0.310 HD2 :: 0.707 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 :: 118.214 Ave N Shift Values>> N :: 121.98(4.07) R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.26 R 0.14 G 0.1 C Shift Assignments>> C :: 174.758 CA :: 54.857 CB :: 34.339 CG :: 28.442 CD :: 43.323 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 :: 8.764 HA :: 5.185 HB2 :: 1.670 HB3 :: 1.670 HG2 :: 1.586 HG3 :: 1.586 HD2 :: 2.927 HD3 :: 2.927 HE :: 6.919 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 :: 121.423 NE :: 83.947 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.758 CA :: 61.054 CB :: 32.711 CG1 :: 22.072 CG2 :: 21.816 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 :: 8.953 HA :: 5.084 HB :: 1.853 HG1 :: 0.639 HG2 :: 0.914 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 :: 123.581 Ave N Shift Values>> N :: 121.02(4.96) V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.777 CA :: 60.391 CB :: 34.934 CG1 :: 20.992 CG2 :: 21.169 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 :: 9.156 HA :: 4.800 HB :: 2.057 HG1 :: 0.826 HG2 :: 0.936 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.110 Ave N Shift Values>> N :: 121.02(4.96) D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.28 C 0.13 G 0.12 D 0.05 F 0.04 K 0.03 Y 0.03 C Shift Assignments>> C :: 177.619 CA :: 55.958 CB :: 43.861 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 :: 9.013 HA :: 4.371 HB2 :: 3.074 HB3 :: 2.566 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 :: 127.815 Ave N Shift Values>> N :: 120.73(4.2) E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 I 0.15 M 0.06 K 0.03 Q 0.02 C Shift Assignments>> C :: 176.554 CA :: 59.541 CB :: 30.619 CG :: 36.319 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 :: 8.539 HA :: 4.058 HB2 :: 1.903 HB3 :: 1.818 HG2 :: 2.192 HG3 :: 2.192 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.059 Ave N Shift Values>> N :: 120.68(3.68) K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.01 G 0.01 HN Overlap>> L73 C Shift Assignments>> C :: 178.740 CA :: 58.447 CB :: 33.289 CG :: 24.934 CD :: 29.141 CE :: 42.250 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 :: 8.649 HA :: 4.304 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 1.546 HG3 :: 1.413 HD2 :: 1.785 HD3 :: 1.785 HE2 :: 3.034 HE3 :: 2.976 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 :: 118.113 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.142 CA :: 62.294 CB :: 70.784 CG2 :: 21.556 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 :: 8.516 HA :: 4.262 HB :: 4.356 HG2 :: 1.238 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 :: 108.288 Ave N Shift Values>> N :: 115.7(5.05) K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 K 0.3 L 0.04 C Shift Assignments>> C :: 175.232 CA :: 57.654 CB :: 28.939 CG :: 25.240 CD :: 28.666 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 :: 7.879 HA :: 4.046 HB2 :: 2.246 HB3 :: 2.011 HG2 :: 1.405 HG3 :: 1.318 HD2 :: 1.694 HD3 :: 1.590 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 :: 114.040 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.22 K 0.17 C 0.1 F 0.08 Y 0.06 R 0.06 N 0.05 HN Overlap>> K147 C Shift Assignments>> C :: 175.693 CA :: 54.833 CB :: 41.593 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 :: 7.921 HA :: 4.520 HB2 :: 2.532 HB3 :: 2.446 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.021 Ave N Shift Values>> N :: 120.73(4.2) L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.29 R 0.09 C Shift Assignments>> C :: 176.543 CA :: 55.345 CB :: 41.839 CG :: 27.130 CD1 :: 25.719 CD2 :: 24.339 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 :: 8.522 HA :: 4.366 HB2 :: 1.668 HB3 :: 1.527 HG :: 1.408 HD1 :: 0.833 HD2 :: 0.840 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 :: 123.336 Ave N Shift Values>> N :: 121.98(4.07) I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 176.543 CA :: 63.538 CB :: 39.229 CG1 :: 27.445 CG2 :: 18.002 CD1 :: 14.015 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 :: 8.960 HA :: 4.087 HB :: 1.521 HG2 :: 0.935 HG12 :: 1.532 HG13 :: 1.107 HD1 :: 0.866 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 :: 126.654 Ave N Shift Values>> N :: 121.6(4.72) V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.46 C Shift Assignments>> C :: 173.241 CA :: 61.885 CB :: 36.235 CG1 :: 20.992 CG2 :: 20.992 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 :: 7.332 HA :: 4.155 HB :: 1.654 HG1 :: 0.718 HG2 :: 0.688 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 :: 116.481 Ave N Shift Values>> N :: 121.02(4.96) D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.24 R 0.11 K 0.11 C 0.1 N 0.05 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.248 CA :: 53.247 CB :: 42.353 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 :: 8.572 HA :: 4.992 HB2 :: 2.833 HB3 :: 2.376 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 :: 126.757 Ave N Shift Values>> N :: 120.73(4.2) Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.37 Q 0.1 E 0.04 C Shift Assignments>> C :: 175.426 CA :: 53.793 CB :: 32.832 CG :: 33.780 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 :: 8.778 HA :: 4.583 HB2 :: 2.073 HB3 :: 1.929 HG2 :: 1.935 HG3 :: 1.876 HE21 :: 7.649 HE22 :: 7.385 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.675 NE2 :: 115.129 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 177.357 CA :: 61.983 CB :: 68.916 CG2 :: 22.228 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 :: 8.771 HA :: 4.653 HB :: 4.444 HG2 :: 1.378 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 :: 122.718 Ave N Shift Values>> N :: 115.7(5.05) I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.970 CA :: 61.474 CB :: 38.314 CG1 :: 28.753 CG2 :: 19.097 CD1 :: 12.296 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 :: 8.543 HA :: 3.919 HB :: 1.618 HG2 :: 0.980 HG12 :: 1.410 HG13 :: 1.209 HD1 :: 0.669 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 :: 128.362 Ave N Shift Values>> N :: 121.6(4.72) E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.31 I 0.26 K 0.04 M 0.01 C Shift Assignments>> C :: 177.223 CA :: 59.064 CB :: 29.111 CG :: 37.020 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 :: 9.008 HA :: 4.182 HB2 :: 2.102 HB3 :: 2.040 HG2 :: 2.343 HG3 :: 2.343 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 :: 118.946 Ave N Shift Values>> N :: 120.68(3.68) K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.26 G 0.01 M 0.01 C Shift Assignments>> C :: 176.410 CA :: 55.714 CB :: 33.371 CG :: 26.141 CD :: 28.875 CE :: 42.252 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 :: 7.063 HA :: 4.537 HB2 :: 2.484 HB3 :: 1.618 HG2 :: 1.557 HG3 :: 1.421 HD2 :: 1.805 HD3 :: 1.691 HE2 :: 3.038 HE3 :: 3.038 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 :: 114.768 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 175.074 CA :: 63.637 CB :: 31.754 CG1 :: 21.853 CG2 :: 22.496 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 :: 7.809 HA :: 4.385 HB :: 2.490 HG1 :: 1.022 HG2 :: 0.821 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.872 Ave N Shift Values>> N :: 121.02(4.96) S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.215 CA :: 59.434 CB :: 64.516 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.479 HA :: 4.545 HB2 :: 3.927 HB3 :: 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 :: 122.952 Ave N Shift Values>> N :: 116.3(3.95) F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.35 F 0.2 C Shift Assignments>> C :: 173.058 CA :: 58.342 CB :: 44.147 CD1 :: 129.653 CD2 :: 129.653 CE1 :: 130.205 CE2 :: 130.205 CZ :: 131.232 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 :: 7.756 HA :: 4.851 HB2 :: 3.792 HB3 :: 2.499 HD1 :: 7.154 HD2 :: 7.154 HE1 :: 7.302 HE2 :: 7.302 HZ :: 7.335 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.371 Ave N Shift Values>> N :: 120.69(4.18) C95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.13 W 0.13 H 0.12 E 0.12 M 0.11 K 0.09 Q 0.09 V 0.01 I 0.01 C Shift Assignments>> C :: 170.667 CA :: 56.811 CB :: 31.077 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.640 HA :: 5.154 HB2 :: 3.198 HB3 :: 2.698 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 :: 122.238 Ave N Shift Values>> N :: 119.95(4.79) A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 M 0.19 C 0.12 K 0.09 A 0.06 V 0.03 T 0.02 C Shift Assignments>> CA :: 55.350 CB :: 22.451 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.521 HA :: 4.750 HB :: 1.491 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.875 Ave N Shift Values>> N :: 123.23(3.7) P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 173.861 CA :: 62.236 CB :: 30.834 CG :: 26.299 CD :: 49.666 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.159 HB2 :: 2.435 HB3 :: 1.849 HG2 :: 2.076 HG3 :: 2.076 HD2 :: 3.794 HD3 :: 3.620 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) D98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.4 L 0.07 C Shift Assignments>> C :: 176.883 CA :: 54.586 CB :: 47.500(S) 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 :: 8.880 HA :: 4.787 HB2 :: 3.546 HB3 :: 2.497 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 :: 123.407 Ave N Shift Values>> N :: 120.73(4.2) R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.38 K 0.09 G 0.07 L 0.01 C Shift Assignments>> C :: 176.579 CA :: 58.108 CB :: 30.404 CG :: 26.678 CD :: 43.323 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 :: 8.882 HA :: 4.131 HB2 :: 1.830 HB3 :: 1.830 HG2 :: 1.727 HG3 :: 1.727 HD2 :: 3.116 HD3 :: 3.116 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 :: 124.471 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.23 C 0.15 Y 0.12 F 0.11 L 0.08 K 0.01 C Shift Assignments>> C :: 175.313 CA :: 54.428 CB :: 39.627 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 :: 9.481 HA :: 4.504 HB2 :: 2.763 HB3 :: 1.941 HD21 :: 8.583 HD22 :: 6.896 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 :: 117.926 ND2 :: 117.185 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 F 0.45 HN Overlap>> R110 C Shift Assignments>> C :: 176.021 CA :: 56.490 CB :: 40.292 CD1 :: 132.851 CD2 :: 132.851 CE1 :: 129.461 CE2 :: 129.461 CZ :: 131.350 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 :: 8.575 HA :: 4.902 HB2 :: 3.262 HB3 :: 2.848 HD1 :: 7.368 HD2 :: 7.368 HE1 :: 7.267 HE2 :: 7.267 HZ :: 7.338 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 :: 120.697 Ave N Shift Values>> N :: 120.69(4.18) D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.15 L 0.11 D 0.11 K 0.1 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 175.134 CA :: 57.125 CB :: 40.497 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 :: 8.889 HA :: 4.601 HB2 :: 2.962 HB3 :: 2.813 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 :: 125.126 Ave N Shift Values>> N :: 120.73(4.2) R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.15 G 0.06 C Shift Assignments>> C :: 175.887 CA :: 56.459 CB :: 30.541 CG :: 27.889 CD :: 43.285 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 :: 8.434 HA :: 4.559 HB2 :: 2.537 HB3 :: 1.863 HG2 :: 1.826 HG3 :: 1.779 HD2 :: 3.172 HD3 :: 3.172 HE :: 7.133 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 :: 116.276 NE :: 86.185 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.17 L 0.09 C 0.06 C Shift Assignments>> C :: 177.150 CA :: 52.189 CB :: 21.069 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.920 HA :: 5.588 HB :: 1.651 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.220 Ave N Shift Values>> N :: 123.23(3.7) F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 G 0.34 C 0.26 HN Overlap>> V65 C Shift Assignments>> C :: 172.099 CA :: 57.219 CB :: 44.207 CD1 :: 132.241 CD2 :: 132.241 CE1 :: 130.018 CE2 :: 130.018 CZ :: 128.723 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 :: 8.929 HA :: 5.046 HB2 :: 3.274 HB3 :: 2.527 HD1 :: 6.809 HD2 :: 6.809 HE1 :: 6.790 HE2 :: 6.790 HZ :: 6.763 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 :: 120.875 Ave N Shift Values>> N :: 120.69(4.18) S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 S 0.22 C Shift Assignments>> C :: 172.038 CA :: 57.443 CB :: 67.774 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.644 HA :: 5.623 HB2 :: 3.685 HB3 :: 3.332 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 :: 120.128 Ave N Shift Values>> N :: 116.3(3.95) Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.36 G 0.02 C Shift Assignments>> C :: 171.711 CA :: 56.455 CB :: 42.216 CD1 :: 132.979 CD2 :: 132.979 CE1 :: 117.721 CE2 :: 117.721 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 :: 8.689 HA :: 5.405 HB2 :: 3.489 HB3 :: 2.638 HD1 :: 6.940 HD2 :: 6.940 HE1 :: 6.617 HE2 :: 6.617 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 :: 115.670 Ave N Shift Values>> N :: 120.79(4.69) I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 175.329 CA :: 59.805 CB :: 40.762 CG1 :: 28.801 CG2 :: 18.826 CD1 :: 13.655 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 :: 9.083 HA :: 5.437 HB :: 1.617 HG2 :: 1.007 HG12 :: 1.686 HG13 :: 1.686 HD1 :: 0.565 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 :: 120.573 Ave N Shift Values>> N :: 121.6(4.72) C109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.2 Q 0.19 K 0.16 H 0.05 R 0.04 W 0.04 E 0.03 C Shift Assignments>> C :: 172.415 CA :: 54.727 CB :: 33.584 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.800 HA :: 6.019 HB2 :: 3.232 HB3 :: 3.065 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 :: 121.560 Ave N Shift Values>> N :: 119.95(4.79) R110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 C 0.34 K 0.21 G 0.03 HN Overlap>> F101 C Shift Assignments>> C :: 176.174 CA :: 55.054 CB :: 31.681 CG :: 26.560 CD :: 42.760 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 :: 8.514 HA :: 4.428 HB2 :: 1.722 HB3 :: 1.629 HG2 :: 1.317 HG3 :: 0.932 HD2 :: 2.522 HD3 :: 2.246(S) 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 :: 120.706 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.21 R 0.13 K 0.12 C 0.1 F 0.04 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.901 CA :: 53.775 CB :: 42.417 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 :: 8.718 HA :: 4.685 HB2 :: 2.735 HB3 :: 2.472 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 :: 126.594 Ave N Shift Values>> N :: 120.73(4.2) G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 175.025 CA :: 46.705 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.620 HA2 :: 3.983 HA3 :: 3.861 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.045 Ave N Shift Values>> N :: 109.91(4.29) T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.741 CA :: 63.860 CB :: 69.010 CG2 :: 21.676 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 :: 8.468 HA :: 4.292 HB :: 4.353 HG2 :: 1.211 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 :: 114.686 Ave N Shift Values>> N :: 115.7(5.05) T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> S133 C Shift Assignments>> C :: 174.552 CA :: 61.759 CB :: 70.460 CG2 :: 21.472 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 :: 7.954 HA :: 4.336 HB :: 4.264 HG2 :: 1.181 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 :: 112.215 Ave N Shift Values>> N :: 115.7(5.05) R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 R 0.31 L 0.2 G 0.08 K 0.06 C Shift Assignments>> C :: 174.953 CA :: 56.861 CB :: 27.812 CG :: 27.539 CD :: 43.406 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 :: 8.008 HA :: 3.833 HB2 :: 1.902 HB3 :: 1.843 HG2 :: 1.519 HG3 :: 1.480 HD2 :: 3.157 HD3 :: 3.157 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 :: 117.372 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.35 K 0.16 G 0.07 C Shift Assignments>> C :: 174.552 CA :: 54.978 CB :: 32.132 CG :: 27.290 CD :: 43.316 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 :: 7.497 HA :: 4.238 HB2 :: 1.861 HB3 :: 1.582 HG2 :: 1.552 HG3 :: 1.520 HD2 :: 3.180 HD3 :: 3.098 HE :: 7.327 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 :: 119.100 NE :: 84.952 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) W117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.45 H 0.02 C Shift Assignments>> C :: 175.110 CA :: 56.798 CB :: 30.794 CD1 :: 126.605 CE3 :: 120.556 CZ2 :: 114.554 CZ3 :: 122.837 CH2 :: 124.269 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 :: 8.376 HA :: 5.147 HB2 :: 3.000 HB3 :: 2.778 HD1 :: 6.908 HE1 :: 10.067 HE3 :: 7.329 HZ2 :: 7.453 HH2 :: 7.215 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 :: 122.347 NE1 :: 128.088 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 A 0.01 C Shift Assignments>> C :: 173.653 CA :: 58.835 CB :: 40.286 CG1 :: 26.978 CG2 :: 18.266 CD1 :: 11.695 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 :: 9.316 HA :: 4.736 HB :: 1.879 HG2 :: 0.468 HG12 :: 1.354 HG13 :: 1.176 HD1 :: 0.625 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 :: 121.600 Ave N Shift Values>> N :: 121.6(4.72) C119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 R 0.14 E 0.13 W 0.13 C 0.12 Q 0.12 K 0.08 M 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 173.544 CA :: 56.578 CB :: 30.322 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.210 HA :: 5.478 HB2 :: 2.662 HB3 :: 2.329 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 :: 126.536 Ave N Shift Values>> N :: 119.95(4.79) H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 H 0.25 W 0.17 C Shift Assignments>> C :: 175.535 CA :: 55.626 CB :: 34.071 CD2 :: 118.658 CE1 :: 137.446 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.117 HA :: 4.864 HB2 :: 2.694 HB3 :: 1.981 HD2 :: 6.675 HE1 :: 7.431 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 :: 128.623 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) C121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.17 M 0.14 Q 0.13 W 0.08 V 0.07 R 0.06 H 0.05 E 0.04 C Shift Assignments>> C :: 173.532 CA :: 58.253 CB :: 33.123 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.771 HA :: 5.098 HB2 :: 2.758 HB3 :: 1.978 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 :: 116.973 Ave N Shift Values>> N :: 119.95(4.79) F122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 C 0.32 G 0.26 C Shift Assignments>> C :: 174.916 CA :: 56.737 CB :: 43.837 CD1 :: 132.360 CD2 :: 132.360 CE1 :: 131.622 CE2 :: 131.622 CZ :: 128.798 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 :: 9.333 HA :: 5.342 HB2 :: 3.111 HB3 :: 2.864 HD1 :: 7.307 HD2 :: 7.307 HE1 :: 7.298 HE2 :: 7.298 HZ :: 7.164 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 :: 119.343 Ave N Shift Values>> N :: 120.69(4.18) M123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 A 0.31 C 0.26 C Shift Assignments>> C :: 175.960 CA :: 53.476 CB :: 34.306 CG :: 32.116 CE :: 17.030 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 :: 9.102 HA :: 5.119 HB2 :: 1.959 HB3 :: 1.818 HG2 :: 2.604 HG3 :: 2.437 HE :: 1.811 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 :: 117.646 Ave N Shift Values>> N :: 120.1(3.88) A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.27 C 0.02 C Shift Assignments>> C :: 176.689 CA :: 53.211 CB :: 18.983 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.801 HA :: 4.468 HB :: 1.489 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.563 Ave N Shift Values>> N :: 123.23(3.7) V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.664 CA :: 65.373 CB :: 33.287 CG1 :: 20.912 CG2 :: 21.982 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 :: 7.627 HA :: 3.898 HB :: 1.773 HG1 :: 1.000 HG2 :: 0.974 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.854 Ave N Shift Values>> N :: 121.02(4.96) K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 G 0.17 K 0.17 R 0.15 M 0.03 C Shift Assignments>> C :: 174.624 CA :: 55.503 CB :: 34.045 CG :: 24.302 CD :: 29.150 CE :: 43.930 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 :: 8.991 HA :: 4.637 HB2 :: 1.874 HB3 :: 1.874 HG2 :: 1.434 HG3 :: 1.391 HD2 :: 1.723 HD3 :: 1.723 HE2 :: 2.785 HE3 :: 2.659 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 :: 116.686 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.13 L 0.09 C Shift Assignments>> C :: 173.617 CA :: 53.343 CB :: 46.215(S) 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 :: 6.945 HA :: 5.136 HB2 :: 2.440 HB3 :: 2.115 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 :: 118.265 Ave N Shift Values>> N :: 120.73(4.2) T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 175.985 CA :: 59.804 CB :: 70.947 CG2 :: 22.337 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 :: 7.898 HA :: 4.609 HB :: 4.611 HG2 :: 1.362 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 :: 106.738 Ave N Shift Values>> N :: 115.7(5.05) G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.22 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.840 CA :: 47.321 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.326 HA2 :: 4.171 HA3 :: 3.503 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.455 Ave N Shift Values>> N :: 109.91(4.29) E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.19 K 0.07 Q 0.02 M 0.02 C Shift Assignments>> C :: 177.737 CA :: 59.274 CB :: 29.385 CG :: 36.319 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 :: 8.579 HA :: 3.980 HB2 :: 2.154 HB3 :: 2.154 HG2 :: 2.515 HG3 :: 2.439 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 :: 120.849 Ave N Shift Values>> N :: 120.68(3.68) R131 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.38 C 0.36 G 0.17 K 0.04 L 0.02 C Shift Assignments>> C :: 178.826 CA :: 59.582 CB :: 29.412 CG :: 26.802 CD :: 43.891 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 :: 7.543 HA :: 2.855 HB2 :: 1.434 HB3 :: 1.361 HG2 :: 1.001 HG3 :: 0.667(S) HD2 :: 2.778 HD3 :: 2.679 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 :: 121.349 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.9 V 0.03 K 0.02 R 0.02 C Shift Assignments>> C :: 177.065 CA :: 59.231 CB :: 39.652 CG :: 30.819 CD1 :: 23.956 CD2 :: 25.516 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 :: 6.571 HA :: 2.765(S) HB2 :: 0.612 HB3 :: -0.108(S) HG :: 0.333(S) HD1 :: -0.082 HD2 :: 0.105 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 :: 122.347 Ave N Shift Values>> N :: 121.98(4.07) S133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T114 C Shift Assignments>> C :: 178.012 CA :: 61.515 CB :: 63.007 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.933 HA :: 3.825 HB2 :: 3.871 HB3 :: 3.716 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 :: 112.194 Ave N Shift Values>> N :: 116.3(3.95) H134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 H 0.32 C 0.29 C Shift Assignments>> C :: 177.016 CA :: 59.318 CB :: 27.561 CD2 :: 120.336 CE1 :: 135.642 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.249 HA :: 4.196 HB2 :: 3.312 HB3 :: 2.826 HD2 :: 6.947 HE1 :: 8.341 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.138 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.17 I 0.1 C 0.02 C Shift Assignments>> C :: 178.813 CA :: 56.131 CB :: 17.361 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.497 HA :: 3.715 HB :: 1.486 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.417 Ave N Shift Values>> N :: 123.23(3.7) V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.842 CA :: 66.970 CB :: 30.734 CG1 :: 23.592 CG2 :: 22.356 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 :: 7.855 HA :: 3.239 HB :: 2.176 HG1 :: 0.796 HG2 :: 0.657 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 :: 118.241 Ave N Shift Values>> N :: 121.02(4.96) G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.23 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 177.769 CA :: 47.411 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.318 HA2 :: 3.907 HA3 :: 3.784 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.620 Ave N Shift Values>> N :: 109.91(4.29) C138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 I 0.41 C 0.07 R 0.01 W 0.01 C Shift Assignments>> C :: 177.111 CA :: 63.045 CB :: 26.326 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.878 HA :: 4.182 HB2 :: 3.116 HB3 :: 2.813 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 :: 121.259 Ave N Shift Values>> N :: 119.95(4.79) A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.25 I 0.06 C 0.03 C Shift Assignments>> C :: 178.995 CA :: 55.679 CB :: 17.727 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.870 HA :: 3.760 HB :: 1.311 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.929 Ave N Shift Values>> N :: 123.23(3.7) F140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 178.437 CA :: 60.580 CB :: 38.785 CD1 :: 131.310 CD2 :: 131.310 CE1 :: 131.438 CE2 :: 131.438 CZ :: 129.652 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.385 HA :: 4.167 HB2 :: 3.236 HB3 :: 3.152 HD1 :: 7.220 HD2 :: 7.220 HE1 :: 7.335 HE2 :: 7.335 HZ :: 7.153 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 :: 118.216 Ave N Shift Values>> N :: 120.69(4.18) A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> CA :: 55.123 CB :: 18.028 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.951 HA :: 4.122 HB :: 1.543 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.158 Ave N Shift Values>> N :: 123.23(3.7) A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.42 C 0.02 I 0.02 C Shift Assignments>> C :: 179.845 CA :: 54.763 CB :: 18.108 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.182 HA :: 4.176 HB :: 1.486 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.004 Ave N Shift Values>> N :: 123.23(3.7) C143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.35 C 0.09 R 0.03 W 0.02 K 0.01 C Shift Assignments>> C :: 177.133 CA :: 62.255 CB :: 26.572 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.258 HA :: 4.082 HB2 :: 3.223 HB3 :: 3.067 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.396 Ave N Shift Values>> N :: 119.95(4.79) L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.37 R 0.03 C Shift Assignments>> C :: 179.469 CA :: 57.830 CB :: 41.537 CG :: 26.988 CD1 :: 23.656 CD2 :: 24.622 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 :: 7.863 HA :: 4.062 HB2 :: 1.764 HB3 :: 1.659 HG :: 1.650 HD1 :: 0.864 HD2 :: 0.895 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 :: 120.614 Ave N Shift Values>> N :: 121.98(4.07) E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.15 K 0.07 M 0.03 Q 0.03 C Shift Assignments>> C :: 178.631 CA :: 58.870 CB :: 29.746 CG :: 36.298 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 :: 8.013 HA :: 4.078 HB2 :: 2.167 HB3 :: 2.121 HG2 :: 2.429 HG3 :: 2.284 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 :: 119.132 Ave N Shift Values>> N :: 120.68(3.68) R146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.38 G 0.17 K 0.03 HN Overlap>> R22 C Shift Assignments>> C :: 178.048 CA :: 58.483 CB :: 30.446 CG :: 27.255 CD :: 44.075 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 :: 7.712 HA :: 4.170 HB2 :: 1.994 HB3 :: 1.994 HG2 :: 1.883 HG3 :: 1.719 HD2 :: 3.216 HD3 :: 3.172 HE :: 7.305 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.010 NE :: 84.400 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.21 M 0.02 HN Overlap>> D82 C Shift Assignments>> C :: 177.805 CA :: 57.936 CB :: 32.670 CG :: 25.277 CD :: 29.401 CE :: 42.170 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 :: 7.816 HA :: 4.197 HB2 :: 1.954 HB3 :: 1.954 HG2 :: 1.635 HG3 :: 1.497 HD2 :: 1.706 HD3 :: 1.706 HE2 :: 2.990 HE3 :: 2.990 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 :: 118.992 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.24 E 0.13 M 0.05 R 0.05 I 0.01 C Shift Assignments>> C :: 176.689 CA :: 56.702 CB :: 29.054 CG :: 33.979 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 :: 7.979 HA :: 4.242 HB2 :: 2.138 HB3 :: 2.138 HG2 :: 2.495 HG3 :: 2.427 HE21 :: 7.486 HE22 :: 6.893 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 :: 118.645 NE2 :: 111.885 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.21 M 0.02 G 0.01 C Shift Assignments>> C :: 176.828 CA :: 56.843 CB :: 32.746 CG :: 24.947 CD :: 28.903 CE :: 42.252 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 :: 8.049 HA :: 4.287 HB2 :: 1.901 HB3 :: 1.840 HG2 :: 1.536 HG3 :: 1.465 HD2 :: 1.777 HD3 :: 1.777 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 :: 120.816 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.11 G 0.07 C Shift Assignments>> C :: 176.410 CA :: 56.231 CB :: 30.858 CG :: 27.182 CD :: 43.406 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 :: 8.192 HA :: 4.409 HB2 :: 1.929 HB3 :: 1.828 HG2 :: 1.712 HG3 :: 1.700 HD2 :: 3.227 HD3 :: 3.227 HE :: 7.693 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 :: 121.428 NE :: 84.714 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.552 CA :: 58.465 CB :: 64.108 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.295 HA :: 4.545 HB2 :: 3.893 HB3 :: 3.893 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 :: 116.773 Ave N Shift Values>> N :: 116.3(3.95) G152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.808 CA :: 44.714 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.235 HA2 :: 4.154 HA3 :: 4.154 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.710 Ave N Shift Values>> N :: 109.91(4.29) P153 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 :: 177.176 CA :: 63.289 CB :: 32.215 CG :: 27.452 CD :: 51.081 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.503 HB2 :: 2.305 HB3 :: 1.920 HG2 :: 2.043 HG3 :: 1.992 HD2 :: 3.885 HD3 :: 3.684 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) S154 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.966 CA :: 58.711 CB :: 69.878(S) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.299 HB2 :: 4.284 HB3 :: 4.284 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 :: 114.615 Ave N Shift Values>> N :: 116.3(3.95) S155 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.582 CA :: 61.832 CB :: 69.726(S) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.104 HA :: 4.407 HB2 :: 4.269 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 :: 115.395 Ave N Shift Values>> N :: 116.3(3.95) G156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.368 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) ########################################################################### Overall Results: #Consistent: 144 #Clerical: 0 #Suspicious: 10 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 152 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 155 #Suspicious: 1 C Shift Results: #Consistent: 662 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 875 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 1 N Shift Results: #Consistent: 162 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: S27 HB2 = 2.138(S), Expected = 3.88, Std = 0.2900, ChiSquare = 1.8911e-09 S27 HB3 = 1.594(S), Expected = 3.87, Std = 0.3100, ChiSquare = 2.1053e-13 G34 H = 5.495(S), Expected = 8.34, Std = 0.7400, ChiSquare = 1.2075e-04 S41 HA = 2.831(S), Expected = 4.51, Std = 0.4300, ChiSquare = 9.4361e-05 S41 HB2 = 1.506(S), Expected = 3.88, Std = 0.2900, ChiSquare = 2.6959e-16 S41 HB3 = 1.306(M), Expected = 3.87, Std = 0.3100, ChiSquare = 1.3288e-16 G43 H = 3.295(S), Expected = 8.34, Std = 0.7400, ChiSquare = 9.2595e-12 G43 SRO Rule Break>> H > HA2 : 0.99798460974716 K55 HE3 = 2.237(S), Expected = 2.93, Std = 0.2000, ChiSquare = 5.3023e-04 D98 CB = 47.500(S), Expected = 40.70, Std = 1.6700, ChiSquare = 4.6640e-05 R110 HD3 = 2.246(S), Expected = 3.13, Std = 0.2200, ChiSquare = 5.8649e-05 D127 CB = 46.215(S), Expected = 40.70, Std = 1.6700, ChiSquare = 9.5863e-04 R131 HG3 = 0.667(S), Expected = 1.58, Std = 0.2700, ChiSquare = 7.2096e-04 L132 HA = 2.765(S), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3794e-04 L132 HB3 = -0.108(S), Expected = 1.57, Std = 0.3600, ChiSquare = 3.1451e-06 L132 HG = 0.333(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.5461e-04 S154 CB = 69.878(S), Expected = 63.80, Std = 1.5700, ChiSquare = 1.0824e-04 S155 Typing: Mistyped S155 CB = 69.726(S), Expected = 63.80, Std = 1.5700, ChiSquare = 1.6031e-04