M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.27 C 0.07 G 0.06 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 170.104 CA :: 43.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.914 HA3 :: 3.923 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.504 CA :: 61.455 CB :: 39.070 CG1 :: 27.208 CG2 :: 17.646 CD1 :: 13.069 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 :: 8.561 HA :: 4.342 HB :: 1.925 HG2 :: 0.972 HG12 :: 1.511 HG13 :: 1.236 HD1 :: 0.907 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.726 Ave N Shift Values>> N :: 121.6(4.72) T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> D27 C Shift Assignments>> C :: 174.552 CA :: 61.834 CB :: 69.912 CG2 :: 21.624 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 :: 8.406 HA :: 4.520 HB :: 4.271 HG2 :: 1.242 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.332 Ave N Shift Values>> N :: 115.7(5.05) T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.292 CA :: 61.691 CB :: 69.840 CG2 :: 21.678 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 :: 8.220 HA :: 4.405 HB :: 4.276 HG2 :: 1.245 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.917 Ave N Shift Values>> N :: 115.7(5.05) L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.08 G 0.02 A 0.01 HN Overlap>> R73 C Shift Assignments>> C :: 176.858 CA :: 55.374 CB :: 42.409 CG :: 27.045 CD1 :: 24.957 CD2 :: 23.581 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 :: 8.305 HA :: 4.381 HB2 :: 1.648 HB3 :: 1.653 HG :: 1.653 HD1 :: 0.954 HD2 :: 0.899 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.222 Ave N Shift Values>> N :: 121.98(4.07) D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.1 N 0.09 F 0.07 Y 0.06 R 0.03 C Shift Assignments>> C :: 175.314 CA :: 54.166 CB :: 41.241 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 :: 8.258 HA :: 4.618 HB2 :: 2.705 HB3 :: 2.625 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.813 Ave N Shift Values>> N :: 120.73(4.2) D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.19 N 0.14 C 0.12 K 0.08 R 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.233 CA :: 52.102 CB :: 41.678 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 :: 8.167 HA :: 4.910 HB2 :: 2.812 HB3 :: 2.647 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.382 Ave N Shift Values>> N :: 120.73(4.2) P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.722 CA :: 64.280 CB :: 32.183 CG :: 27.217 CD :: 50.958 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 :: 4.388 HB2 :: 2.338 HB3 :: 1.966 HG2 :: 2.018 HG3 :: 2.010 HD2 :: 3.877 HD3 :: 3.876 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) L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.31 R 0.03 A 0.02 C Shift Assignments>> C :: 178.363 CA :: 55.541 CB :: 41.423 CG :: 27.060 CD1 :: 24.923 CD2 :: 22.963 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 :: 8.328 HA :: 4.361 HB2 :: 1.750 HB3 :: 1.588 HG :: 1.617 HD1 :: 0.891 HD2 :: 0.792 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 :: 118.958 Ave N Shift Values>> N :: 121.98(4.07) G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.067 CA :: 45.672 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.076 HA2 :: 4.035 HA3 :: 3.963 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.596 Ave N Shift Values>> N :: 109.91(4.29) H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 W 0.31 C 0.26 HN Overlap>> I35 C Shift Assignments>> C :: 173.757 CA :: 54.812 CB :: 29.253 CD2 :: 120.0 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 :: 8.207 HA :: 4.731 HB2 :: 3.323 HB3 :: 3.220 HD2 :: 7.321 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.729 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 A 0.32 C 0.26 C Shift Assignments>> C :: 173.672 CA :: 53.892 CB :: 33.122 CG :: 31.453 CE :: 17.533 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.426 HA :: 3.876 HB2 :: 1.932 HB3 :: 1.862 HG2 :: 2.578 HG3 :: 2.355 HE :: 2.334 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 :: 124.026 Ave N Shift Values>> N :: 120.1(3.88) P14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.154 CA :: 62.487 CB :: 31.539 CG :: 26.726 CD :: 49.741 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 :: 4.063 HB2 :: 1.728 HB3 :: 0.748(S) HG2 :: 1.197 HG3 :: 0.631(S) HD2 :: 2.876 HD3 :: 2.244(S) 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) E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.1 K 0.06 M 0.06 Q 0.03 HN Overlap>> M34 C Shift Assignments>> C :: 176.423 CA :: 58.135 CB :: 30.159 CG :: 36.360 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 :: 8.311 HA :: 3.928 HB2 :: 1.959 HB3 :: 1.903 HG2 :: 2.288 HG3 :: 2.229 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 :: 119.517 Ave N Shift Values>> N :: 120.68(3.68) R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.33 K 0.16 G 0.08 C Shift Assignments>> C :: 174.440 CA :: 54.172 CB :: 33.085 CG :: 26.892 CD :: 43.188 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 :: 7.273 HA :: 4.758 HB2 :: 1.752 HB3 :: 1.592 HG2 :: 1.535 HG3 :: 1.544 HD2 :: 3.251 HD3 :: 3.166 HE :: 7.195 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 :: 115.563 NE :: 85.110 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.35 C Shift Assignments>> C :: 176.237 CA :: 57.024 CB :: 41.621 CD1 :: 131.70 CD2 :: 131.70 CE1 :: 131.200 CE2 :: 131.200 CZ :: 129.3 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 :: 9.080 HA :: 4.556 HB2 :: 3.149 HB3 :: 2.989 HD1 :: 6.857 HD2 :: 6.857 HE1 :: 7.007 HE2 :: 7.007 HZ :: 6.818 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 :: 118.075 Ave N Shift Values>> N :: 120.69(4.18) D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 R 0.17 F 0.15 C 0.13 L 0.13 Y 0.11 D 0.03 I 0.03 C Shift Assignments>> C :: 177.929 CA :: 58.368 CB :: 42.212 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 :: 9.577 HA :: 4.653 HB2 :: 2.759 HB3 :: 2.516 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.825 Ave N Shift Values>> N :: 120.73(4.2) A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 L 0.25 M 0.15 C 0.11 K 0.01 C Shift Assignments>> C :: 174.724 CA :: 51.764 CB :: 22.013 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.744 HA :: 5.564 HB :: 1.253 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.326 Ave N Shift Values>> N :: 123.23(3.7) F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.33 G 0.01 C Shift Assignments>> C :: 174.631 CA :: 56.008 CB :: 41.888 CD1 :: 131.90 CD2 :: 131.90 CE1 :: 130.70 CE2 :: 130.70 CZ :: 129.500 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 :: 7.912 HA :: 5.426 HB2 :: 3.609 HB3 :: 2.359 HD1 :: 7.030 HD2 :: 7.030 HE1 :: 6.924 HE2 :: 6.924 HZ :: 7.305 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 :: 121.118 Ave N Shift Values>> N :: 120.69(4.18) I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 171.385 CA :: 60.434 CB :: 37.351 CG1 :: 26.688 CG2 :: 18.054 CD1 :: 13.003 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 :: 8.000 HA :: 4.433 HB :: 1.758 HG2 :: 0.611 HG12 :: 1.366 HG13 :: 0.872 HD1 :: 0.619 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.429 Ave N Shift Values>> N :: 121.6(4.72) C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.13 K 0.13 C 0.12 Q 0.11 E 0.11 R 0.1 H 0.1 I 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 171.931 CA :: 58.647 CB :: 28.644 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.410 HA :: 4.598 HB2 :: 3.204 HB3 :: 2.9 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 129.158 Ave N Shift Values>> N :: 119.95(4.79) Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.48 C Shift Assignments>> C :: 172.503 CA :: 55.176 CB :: 41.041 CD1 :: 134.200 CD2 :: 134.200 CE1 :: 117.744 CE2 :: 117.744 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.796 HA :: 5.151 HB2 :: 3.095 HB3 :: 2.806 HD1 :: 6.942 HD2 :: 6.942 HE1 :: 6.580 HE2 :: 6.580 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.632 Ave N Shift Values>> N :: 120.79(4.69) C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.15 C 0.14 K 0.12 R 0.11 W 0.1 E 0.08 M 0.05 L 0.02 C Shift Assignments>> C :: 173.494 CA :: 54.146 CB :: 29.340 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.525 HA :: 5.297 HB2 :: 3.469 HB3 :: 3.385 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 :: 121.023 Ave N Shift Values>> N :: 119.95(4.79) P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.3 C Shift Assignments>> C :: 179.032 CA :: 66.234 CB :: 32.194 CG :: 27.896 CD :: 51.062 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 :: 4.356 HB2 :: 2.614 HB3 :: 2.067 HG2 :: 2.274 HG3 :: 2.092 HD2 :: 3.987 HD3 :: 3.862 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) S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.585 CA :: 61.319 CB :: 63.398 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.928 HA :: 4.464 HB2 :: 4.016 HB3 :: 3.973 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 :: 112.315 Ave N Shift Values>> N :: 116.3(3.95) D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.17 C 0.1 R 0.08 F 0.07 Y 0.05 N 0.04 HN Overlap>> T4 C Shift Assignments>> C :: 175.649 CA :: 54.694 CB :: 41.816 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 :: 8.458 HA :: 5.390 HB2 :: 3.302 HB3 :: 2.987 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 :: 118.275 Ave N Shift Values>> N :: 120.73(4.2) I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.08 C Shift Assignments>> C :: 175.199 CA :: 65.024 CB :: 38.885 CG1 :: 30.069 CG2 :: 17.109 CD1 :: 14.446 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.577 HA :: 3.754 HB :: 2.199 HG2 :: 1.134 HG12 :: 1.504 HG13 :: 1.268 HD1 :: 1.066 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.577 Ave N Shift Values>> N :: 121.6(4.72) Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.15 Q 0.14 E 0.13 I 0.13 R 0.03 P 0.01 C Shift Assignments>> C :: 179.096 CA :: 59.775 CB :: 27.575 CG :: 34.736 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 :: 8.732 HA :: 4.132 HB2 :: 2.122 HB3 :: 2.131 HG2 :: 2.542 HG3 :: 2.458 HE21 :: 7.647 HE22 :: 6.926 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 :: 121.544 NE2 :: 112.258 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.38 C 0.22 C Shift Assignments>> C :: 176.151 CA :: 61.060 CB :: 38.647 CD1 :: 131.893 CD2 :: 131.909 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 :: 7.835 HA :: 4.101 HB2 :: 2.503 HB3 :: 2.137 HD1 :: 6.701 HD2 :: 6.690 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 :: 120.442 Ave N Shift Values>> N :: 120.69(4.18) V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> I68 C Shift Assignments>> C :: 177.000 CA :: 67.273 CB :: 30.688 CG1 :: 20.892 CG2 :: 24.188 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 :: 7.260 HA :: 2.946 HB :: 1.520 HG1 :: 0.138 HG2 :: 0.467 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.641 Ave N Shift Values>> N :: 121.02(4.96) Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.17 K 0.16 Q 0.14 I 0.13 R 0.02 P 0.01 C Shift Assignments>> C :: 177.956 CA :: 59.835 CB :: 28.119 CG :: 34.825 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 :: 8.323 HA :: 3.555 HB2 :: 2.179 HB3 :: 1.860 HG2 :: 2.392 HG3 :: 2.191 HE21 :: 7.040 HE22 :: 6.763 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.630 NE2 :: 109.472 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 K 0.21 E 0.15 R 0.04 I 0.04 M 0.01 C Shift Assignments>> C :: 176.228 CA :: 58.518 CB :: 28.370 CG :: 34.396 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 :: 7.166 HA :: 3.914 HB2 :: 1.931 HB3 :: 1.773 HG2 :: 2.273 HG3 :: 1.914 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 :: 120.549 Ave N Shift Values>> N :: 120.68(3.68) M34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.52 M 0.43 A 0.02 HN Overlap>> E15 C Shift Assignments>> C :: 177.156 CA :: 57.932 CB :: 32.423 CG :: 30.587 CE :: 16.961 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.361 HA :: 2.763(M) HB2 :: 1.931 HB3 :: 1.262 HG2 :: 2.307 HG3 :: 1.932 HE :: 1.828 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.484 Ave N Shift Values>> N :: 120.1(3.88) I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> H12 C Shift Assignments>> C :: 177.244 CA :: 65.561 CB :: 37.340 CG1 :: 29.168 CG2 :: 18.154 CD1 :: 14.113 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 :: 8.124 HA :: 3.189 HB :: 1.573 HG2 :: 0.728 HG12 :: 1.482 HG13 :: 0.794 HD1 :: 0.541 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.785 Ave N Shift Values>> N :: 121.6(4.72) R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.08 K 0.07 C Shift Assignments>> C :: 179.600 CA :: 59.497 CB :: 29.946 CG :: 27.616 CD :: 43.352 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 :: 7.316 HA :: 3.898 HB2 :: 1.769 HB3 :: 1.698 HG2 :: 1.612 HG3 :: 1.411 HD2 :: 3.112 HD3 :: 3.110 HE :: 7.223 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 :: 118.460 NE :: 83.91 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 K 0.31 R 0.24 Q 0.04 M 0.02 V 0.01 HN Overlap>> C72 C Shift Assignments>> C :: 180.692 CA :: 58.053 CB :: 25.703 CG :: 31.918 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 :: 8.126 HA :: 3.675 HB2 :: 1.032(S) HB3 :: 0.488(S) HG2 :: 1.919 HG3 :: 1.011(S) HE21 :: 7.405 HE22 :: 6.587 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.662 NE2 :: 110.514 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 R 0.03 C Shift Assignments>> C :: 181.119 CA :: 57.998 CB :: 41.294 CG :: 26.503 CD1 :: 25.765 CD2 :: 22.858 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 :: 8.610 HA :: 4.125 HB2 :: 1.950 HB3 :: 1.295 HG :: 2.007 HD1 :: 0.694 HD2 :: 0.991 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 :: 120.104 Ave N Shift Values>> N :: 121.98(4.07) E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 I 0.24 K 0.07 Q 0.02 HN Overlap>> F95 C Shift Assignments>> C :: 177.820 CA :: 59.301 CB :: 28.731 CG :: 36.470 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.394 HA :: 4.170 HB2 :: 2.206 HB3 :: 2.168 HG2 :: 2.353 HG3 :: 2.353 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 :: 120.470 Ave N Shift Values>> N :: 120.68(3.68) Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.23 E 0.15 M 0.04 R 0.04 I 0.01 C Shift Assignments>> C :: 176.917 CA :: 56.540 CB :: 28.960 CG :: 34.207 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 :: 7.406 HA :: 4.412 HB2 :: 2.348 HB3 :: 2.104 HG2 :: 2.544 HG3 :: 2.490 HE21 :: 7.245 HE22 :: 6.753 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.211 NE2 :: 111.174 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 62.888 CB :: 71.200 CG2 :: 21.038 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 :: 8.477 HA :: 4.566 HB :: 4.656 HG2 :: 1.570 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 :: 114.625 Ave N Shift Values>> N :: 115.7(5.05) N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.22 Y 0.1 D 0.09 F 0.06 E 0.05 M 0.02 L 0.01 C Shift Assignments>> CA :: 53.746 CB :: 37.808 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.758 HB2 :: 2.878 HB3 :: 2.709 HD21 :: 7.419 HD22 :: 6.773 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 111.806 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.6 C 0.39 C Shift Assignments>> CA :: 59.761 CB :: 38.850 CD1 :: 133.300 CD2 :: 133.300 CE1 :: 117.800 CE2 :: 117.800 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 :: 8.338 HA :: 4.322 HB2 :: 2.966 HB3 :: 2.738 HD1 :: 7.189 HD2 :: 7.189 HE1 :: 6.876 HE2 :: 6.876 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) R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.25 C 0.25 K 0.12 G 0.07 C Shift Assignments>> CA :: 55.610 CB :: 28.069 CG :: 26.523 CD :: 43.426 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 :: 7.357 HA :: 4.228 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.593 HG3 :: 1.593 HD2 :: 3.240 HD3 :: 3.240 HE :: 7.258 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>> NE :: 84.543 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.3 C 0.24 G 0.23 R 0.14 A 0.06 C Shift Assignments>> C :: 177.435 CA :: 54.546 CB :: 44.145 CG :: 27.098 CD1 :: 27.302 CD2 :: 22.534 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 :: 8.117 HA :: 4.478 HB2 :: 1.840 HB3 :: 1.142 HG :: 1.690 HD1 :: 0.998 HD2 :: 0.777 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.37 R 0.15 M 0.02 G 0.01 C Shift Assignments>> C :: 175.647 CA :: 55.551 CB :: 33.538 CG :: 24.730 CD :: 29.017 CE :: 42.202 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 :: 10.261 HA :: 5.075 HB2 :: 2.061 HB3 :: 1.763 HG2 :: 1.651 HG3 :: 1.648 HD2 :: 1.725 HD3 :: 1.618 HE2 :: 3.039 HE3 :: 3.033 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 :: 123.633 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.28 C 0.15 A 0.01 C Shift Assignments>> C :: 175.140 CA :: 53.048 CB :: 45.560 CG :: 26.699 CD1 :: 25.804 CD2 :: 23.990 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.597 HA :: 5.725 HB2 :: 2.081 HB3 :: 1.299 HG :: 1.717 HD1 :: 0.871 HD2 :: 0.911 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 :: 126.831 Ave N Shift Values>> N :: 121.98(4.07) C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 C 0.18 K 0.16 H 0.1 R 0.1 Q 0.08 W 0.08 E 0.05 C Shift Assignments>> C :: 171.587 CA :: 54.722 CB :: 32.370 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.480 HA :: 5.813 HB2 :: 2.274 HB3 :: 2.088 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 :: 114.103 Ave N Shift Values>> N :: 119.95(4.79) V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.13 V 0.03 C Shift Assignments>> C :: 175.761 CA :: 59.594 CB :: 36.525 CG1 :: 22.115 CG2 :: 17.290 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 :: 8.495 HA :: 4.139 HB :: 2.637 HG1 :: 0.833 HG2 :: 0.536 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 :: 111.271 Ave N Shift Values>> N :: 121.02(4.96) S50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.329 HB2 :: 3.979 HB3 :: 3.979 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 :: 116.257 Ave N Shift Values>> N :: 116.3(3.95) D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.42 D 0.18 C 0.16 Y 0.08 F 0.07 L 0.03 E 0.01 C Shift Assignments>> CA :: 53.318 CB :: 38.796 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.708 HB2 :: 2.869 HB3 :: 2.790 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.32 K 0.15 G 0.07 L 0.06 C Shift Assignments>> CA :: 57.248 CB :: 29.634 CG :: 26.107 CD :: 43.472 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 :: 8.88 HA :: 3.875 HB2 :: 1.840 HB3 :: 1.418 HG2 :: 1.706 HG3 :: 1.439 HD2 :: 3.213 HD3 :: 3.190 HE :: 7.079 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>> NE :: 84.65 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 C 0.16 D 0.14 L 0.11 K 0.05 N 0.04 I 0.03 C Shift Assignments>> CA :: 56.604 CB :: 40.114 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 :: 8.320 HA :: 4.405 HB2 :: 2.885 HB3 :: 2.698 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 :: 121.154 Ave N Shift Values>> N :: 120.73(4.2) V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.62 C 0.37 C Shift Assignments>> CA :: 61.508 CB :: 31.079 CG1 :: 21.438 CG2 :: 19.437 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 :: 7.532 HA :: 4.254 HB :: 2.380 HG1 :: 0.956 HG2 :: 1.001 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) L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.54 C 0.24 R 0.11 G 0.08 A 0.01 C Shift Assignments>> CA :: 51.891 CB :: 42.638 CG :: 26.202 CD1 :: 27.338 CD2 :: 24.432 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> HA :: 4.767 HB2 :: 1.329 HB3 :: 1.503 HG :: 1.484 HD1 :: 0.741 HD2 :: 0.702 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) P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> CA :: 63.388 CB :: 31.648 CG :: 27.279 CD :: 50.645 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 :: 4.429 HB2 :: 2.210 HB3 :: 1.936 HG2 :: 1.925 HG3 :: 1.935 HD2 :: 3.498 HD3 :: 3.436 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) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.608 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.615 HA2 :: 4.040 HA3 :: 3.813 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.535 Ave N Shift Values>> N :: 109.91(4.29) T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.1 C Shift Assignments>> CA :: 61.107 CB :: 71.083 CG2 :: 21.668 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 :: 7.753 HA :: 4.639 HB :: 4.171 HG2 :: 1.024 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.460 Ave N Shift Values>> N :: 115.7(5.05) C59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.21 C 0.14 L 0.13 I 0.1 Q 0.1 K 0.08 W 0.07 H 0.06 E 0.05 C Shift Assignments>> CA :: 58.095 CB :: 26.819 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.489 HB2 :: 3.023 HB3 :: 2.913 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) V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.45 C Shift Assignments>> C :: 173.689 CA :: 60.464 CB :: 34.047 CG1 :: 22.294 CG2 :: 20.212 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.940 HA :: 4.580 HB :: 1.965 HG1 :: 0.826 HG2 :: 0.801 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 :: 116.839 Ave N Shift Values>> N :: 121.02(4.96) W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.42 H 0.02 C Shift Assignments>> C :: 175.841 CA :: 58.245 CB :: 32.953 CD1 :: 127.700 CE3 :: 121.900 CZ2 :: 115.100 CZ3 :: 121.800 CH2 :: 124.500 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 :: 8.093 HA :: 4.740 HB2 :: 3.550 HB3 :: 3.028 HD1 :: 7.710 HE1 :: 10.320 HE3 :: 8.260 HZ2 :: 7.516 HZ3 :: 7.353 HH2 :: 7.241 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 :: 123.257 NE1 :: 129.993 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.691 CA :: 57.525 CB :: 64.889 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.721 HA :: 5.367 HB2 :: 3.909 HB3 :: 3.853 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 :: 116.598 Ave N Shift Values>> N :: 116.3(3.95) I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.37 G 0.05 C Shift Assignments>> C :: 172.675 CA :: 59.596 CB :: 42.556 CG1 :: 28.205 CG2 :: 16.333 CD1 :: 15.135 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 :: 8.219 HA :: 4.629 HB :: 1.373 HG2 :: 0.730 HG12 :: 1.493 HG13 :: 1.455 HD1 :: 0.659 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 :: 120.230 Ave N Shift Values>> N :: 121.6(4.72) A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.02 C Shift Assignments>> C :: 179.375 CA :: 52.124 CB :: 19.030 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.930 HA :: 4.415 HB :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.620 Ave N Shift Values>> N :: 123.23(3.7) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.361 CA :: 61.361 CB :: 62.618 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.677 HA :: 3.801 HB2 :: 3.700 HB3 :: 3.705 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.722 Ave N Shift Values>> N :: 116.3(3.95) E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.13 K 0.13 Q 0.07 M 0.01 C Shift Assignments>> C :: 177.083 CA :: 58.514 CB :: 28.478 CG :: 35.832 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 :: 9.397 HA :: 4.309 HB2 :: 2.148 HB3 :: 2.146 HG2 :: 2.372 HG3 :: 2.298 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 :: 119.023 Ave N Shift Values>> N :: 120.68(3.68) L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.23 R 0.11 A 0.07 G 0.06 C Shift Assignments>> C :: 177.118 CA :: 54.670 CB :: 43.126 CG :: 27.243 CD1 :: 25.465 CD2 :: 22.328 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 :: 7.805 HA :: 4.549 HB2 :: 1.908 HB3 :: 1.624 HG :: 1.619 HD1 :: 1.044 HD2 :: 0.923 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 :: 118.3 Ave N Shift Values>> N :: 121.98(4.07) I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 HN Overlap>> V31 C Shift Assignments>> C :: 176.956 CA :: 66.658 CB :: 38.310 CG1 :: 29.585 CG2 :: 16.465 CD1 :: 14.079 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.176 HA :: 3.394 HB :: 1.600 HG2 :: 0.325 HG12 :: 1.526 HG13 :: 0.253 HD1 :: -0.179 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.580 Ave N Shift Values>> N :: 121.6(4.72) E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.3 E 0.16 K 0.02 C Shift Assignments>> C :: 178.031 CA :: 60.977 CB :: 28.517 CG :: 37.071 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 :: 8.822 HA :: 3.965 HB2 :: 2.283 HB3 :: 2.007 HG2 :: 2.404 HG3 :: 2.056 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 :: 118.006 Ave N Shift Values>> N :: 120.68(3.68) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.23 M 0.01 G 0.01 C Shift Assignments>> C :: 178.979 CA :: 57.775 CB :: 33.690 CG :: 25.500 CD :: 29.105 CE :: 42.235 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 :: 7.665 HA :: 4.197 HB2 :: 1.889 HB3 :: 1.893 HG2 :: 1.637 HG3 :: 1.565 HD2 :: 1.772 HD3 :: 1.772 HE2 :: 3.088 HE3 :: 3.088 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 :: 113.005 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.34 K 0.26 G 0.04 HN Overlap>> R107 C Shift Assignments>> C :: 175.642 CA :: 56.520 CB :: 32.219 CG :: 27.895 CD :: 43.053 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 :: 7.981 HA :: 4.724 HB2 :: 2.332 HB3 :: 1.945 HG2 :: 1.974 HG3 :: 1.827 HD2 :: 3.316 HD3 :: 3.316 HE :: 7.495 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 :: 113.463 NE :: 83.691 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) C72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.13 E 0.12 H 0.12 C 0.11 R 0.09 I 0.04 M 0.02 L 0.02 HN Overlap>> Q37 C Shift Assignments>> C :: 174.171 CA :: 57.335 CB :: 28.950 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.194 HA :: 5.132 HB2 :: 3.139 HB3 :: 2.543 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 :: 116.683 Ave N Shift Values>> N :: 119.95(4.79) R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.36 R 0.18 HN Overlap>> L6 C Shift Assignments>> C :: 176.223 CA :: 60.987 CB :: 30.803 CG :: 28.579 CD :: 44.604 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 :: 8.278 HA :: 4.195 HB2 :: 2.271 HB3 :: 2.158 HG2 :: 1.999 HG3 :: 1.694 HD2 :: 3.485 HD3 :: 3.485 HE :: 7.266 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 :: 124.261 NE :: 83.228 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 G 0.3 K 0.05 R 0.01 C Shift Assignments>> C :: 173.964 CA :: 54.296 CB :: 35.389 CG :: 30.495 CD :: 43.888 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 :: 7.358 HA :: 5.317 HB2 :: 1.652 HB3 :: 1.634 HG2 :: 1.902 HG3 :: 1.799 HD2 :: 3.240 HD3 :: 3.003 HE :: 7.159 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 :: 111.672 NE :: 84.175 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.4 A 0.13 I 0.01 C Shift Assignments>> C :: 174.887 CA :: 54.401 CB :: 36.179 CG :: 31.795 CE :: 15.692 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 :: 9.193 HA :: 5.305 HB2 :: 1.962 HB3 :: 1.629 HG2 :: 2.514 HG3 :: 2.163 HE :: 1.184 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.837 Ave N Shift Values>> N :: 120.1(3.88) V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 174.302 CA :: 61.050 CB :: 33.180 CG1 :: 21.530 CG2 :: 22.589 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 :: 9.337 HA :: 4.732 HB :: 1.959 HG1 :: 1.012 HG2 :: 0.905 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 :: 128.925 Ave N Shift Values>> N :: 121.02(4.96) V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.44 C Shift Assignments>> C :: 174.239 CA :: 60.563 CB :: 34.562 CG1 :: 22.092 CG2 :: 21.641 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 :: 8.749 HA :: 4.692 HB :: 1.697 HG1 :: 0.695 HG2 :: 0.815 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 :: 128.245 Ave N Shift Values>> N :: 121.02(4.96) V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 173.341 CA :: 62.930 CB :: 30.659 CG1 :: 21.987 CG2 :: 21.530 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 :: 8.126 HA :: 4.199 HB :: 2.321 HG1 :: 0.985 HG2 :: 0.909 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.491 Ave N Shift Values>> N :: 121.02(4.96) V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 173.165 CA :: 62.376 CB :: 32.598 CG1 :: 22.522 CG2 :: 21.313 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 :: 8.675 HA :: 3.870 HB :: 1.851 HG1 :: 0.611 HG2 :: 0.708 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.975 Ave N Shift Values>> N :: 121.02(4.96) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.202 CA :: 57.334 CB :: 65.034 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.175 HA :: 4.517 HB2 :: 4.247 HB3 :: 4.246 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 :: 116.893 Ave N Shift Values>> N :: 116.3(3.95) D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 C 0.19 I 0.14 L 0.03 D 0.03 K 0.01 E 0.01 C Shift Assignments>> C :: 179.573 CA :: 58.642 CB :: 39.573 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 :: 9.570 HA :: 4.585 HB2 :: 2.736 HB3 :: 2.660 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 :: 123.125 Ave N Shift Values>> N :: 120.73(4.2) D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 C 0.15 L 0.11 K 0.11 D 0.1 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 179.433 CA :: 57.235 CB :: 40.545 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 :: 8.433 HA :: 4.441 HB2 :: 2.722 HB3 :: 2.541 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 :: 119.640 Ave N Shift Values>> N :: 120.73(4.2) Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 178.967 CA :: 61.753 CB :: 39.093 CD1 :: 132.55 CD2 :: 132.55 CE1 :: 117.703 CE2 :: 117.703 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 :: 8.676 HA :: 4.407 HB2 :: 3.844 HB3 :: 3.238 HD1 :: 7.010 HD2 :: 7.010 HE1 :: 6.558 HE2 :: 6.551 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.514 Ave N Shift Values>> N :: 120.79(4.69) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.39 R 0.08 K 0.01 C Shift Assignments>> C :: 176.909 CA :: 57.031 CB :: 41.179 CG :: 27.054 CD1 :: 26.924 CD2 :: 23.091 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 :: 7.618 HA :: 4.268 HB2 :: 1.976 HB3 :: 1.734 HG :: 2.264 HD1 :: 0.986 HD2 :: 1.032 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.107 Ave N Shift Values>> N :: 121.98(4.07) Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.19 M 0.13 E 0.11 R 0.02 C Shift Assignments>> C :: 175.004 CA :: 54.466 CB :: 29.873 CG :: 34.024 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 :: 7.183 HA :: 4.740 HB2 :: 2.304 HB3 :: 2.130 HG2 :: 2.456 HG3 :: 2.456 HE21 :: 7.545 HE22 :: 6.936 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.473 NE2 :: 112.049 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S86 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 :: 175.888 CA :: 58.686 CB :: 66.826 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.789 HA :: 4.677 HB2 :: 4.123 HB3 :: 4.132 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 :: 117.029 Ave N Shift Values>> N :: 116.3(3.95) K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.24 M 0.02 C Shift Assignments>> C :: 179.489 CA :: 58.386 CB :: 31.624 CG :: 24.718 CD :: 29.033 CE :: 42.154 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 :: 9.136 HA :: 4.276 HB2 :: 1.938 HB3 :: 1.894 HG2 :: 1.615 HG3 :: 1.522 HD2 :: 1.770 HD3 :: 1.770 HE2 :: 3.085 HE3 :: 3.085 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 :: 123.052 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.75 C 0.23 E 0.01 C Shift Assignments>> C :: 177.504 CA :: 62.199 CB :: 27.170 CG :: 38.559 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 :: 9.351 HA :: 4.044 HB2 :: 2.262 HB3 :: 1.966 HG2 :: 3.017(S) HG3 :: 2.242 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.987 Ave N Shift Values>> N :: 120.68(3.68) C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.15 P 0.11 R 0.1 K 0.07 W 0.04 L 0.02 Q 0.02 H 0.01 E 0.01 V 0.01 HN Overlap>> K114 C Shift Assignments>> C :: 177.954 CA :: 60.806 CB :: 26.089 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.535 HA :: 4.267 HB2 :: 2.644 HB3 :: 1.741 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 :: 120.515 Ave N Shift Values>> N :: 119.95(4.79) D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 C 0.16 K 0.13 L 0.09 I 0.07 D 0.05 R 0.02 C Shift Assignments>> C :: 178.274 CA :: 58.135 CB :: 40.775 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 :: 7.395 HA :: 4.441 HB2 :: 2.866 HB3 :: 2.866 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.765 Ave N Shift Values>> N :: 120.73(4.2) F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 177.223 CA :: 61.096 CB :: 38.299 CD1 :: 132.200 CD2 :: 132.200 CE1 :: 131.0 CE2 :: 131.0 CZ :: 130.0 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 :: 7.917 HA :: 4.283 HB2 :: 3.503 HB3 :: 3.267 HD1 :: 7.354 HD2 :: 7.354 HE1 :: 7.132 HE2 :: 7.132 HZ :: 6.996 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 :: 119.861 Ave N Shift Values>> N :: 120.69(4.18) Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.21 E 0.14 M 0.04 R 0.03 I 0.03 C Shift Assignments>> C :: 178.847 CA :: 59.364 CB :: 29.407 CG :: 33.892 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 :: 8.511 HA :: 3.573 HB2 :: 2.945 HB3 :: 2.469 HG2 :: 2.615 HG3 :: 2.401 HE21 :: 6.246 HE22 :: 6.085 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 :: 121.687 NE2 :: 106.350 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.327 CA :: 67.711 CB :: 68.716 CG2 :: 20.970 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 :: 8.882 HA :: 3.740 HB :: 4.471 HG2 :: 1.264 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.788 Ave N Shift Values>> N :: 115.7(5.05) K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.37 R 0.22 G 0.01 M 0.01 HN Overlap>> A148 C Shift Assignments>> C :: 179.251 CA :: 60.023 CB :: 31.977 CG :: 25.733 CD :: 29.191 CE :: 42.150 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 :: 7.743 HA :: 3.905 HB2 :: 1.863 HB3 :: 1.862 HG2 :: 1.572 HG3 :: 1.414 HD2 :: 1.663 HD3 :: 1.661 HE2 :: 3.000 HE3 :: 3.000 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 :: 121.625 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 HN Overlap>> E39 C Shift Assignments>> C :: 177.910 CA :: 60.731 CB :: 38.769 CD1 :: 131.900 CD2 :: 131.900 CE1 :: 130.90 CE2 :: 130.90 CZ :: 128.858 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 :: 8.333 HA :: 3.991 HB2 :: 2.993 HB3 :: 2.574 HD1 :: 7.086 HD2 :: 7.086 HE1 :: 7.084 HE2 :: 7.084 HZ :: 6.976 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 :: 120.449 Ave N Shift Values>> N :: 120.69(4.18) A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.43 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 179.460 CA :: 54.953 CB :: 18.944 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.532 HA :: 3.853 HB :: 1.519 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.534 Ave N Shift Values>> N :: 123.23(3.7) L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.32 R 0.09 A 0.01 G 0.01 HN Overlap>> W142 C Shift Assignments>> C :: 177.911 CA :: 56.896 CB :: 42.020 CG :: 27.070 CD1 :: 25.418 CD2 :: 22.776 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 :: 8.155 HA :: 4.221 HB2 :: 1.859 HB3 :: 1.588 HG :: 1.862 HD1 :: 0.892 HD2 :: 0.909 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.354 Ave N Shift Values>> N :: 121.98(4.07) S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.970 CA :: 59.196 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 :: 7.514 HA :: 4.425 HB2 :: 3.938 HB3 :: 3.878 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.711 Ave N Shift Values>> N :: 116.3(3.95) L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.21 A 0.17 G 0.03 R 0.02 C Shift Assignments>> C :: 176.683 CA :: 53.847 CB :: 42.490 CG :: 25.627 CD1 :: 25.725 CD2 :: 22.091 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 :: 7.059 HA :: 4.323 HB2 :: 1.728 HB3 :: 1.400 HG :: 1.709 HD1 :: 0.658 HD2 :: 0.522 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.299 Ave N Shift Values>> N :: 121.98(4.07) S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.468 CA :: 57.433 CB :: 62.519 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.364 HA :: 4.637 HB2 :: 3.992 HB3 :: 3.980 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 :: 117.771 Ave N Shift Values>> N :: 116.3(3.95) P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 178.487 CA :: 65.115 CB :: 31.541 CG :: 27.995 CD :: 50.510 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 :: 4.268 HB2 :: 2.384 HB3 :: 1.965 HG2 :: 2.213 HG3 :: 2.102 HD2 :: 3.984 HD3 :: 3.753 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) G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 178.715 CA :: 45.979 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.023 HA2 :: 4.208 HA3 :: 3.902 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.050 Ave N Shift Values>> N :: 109.91(4.29) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.34 C 0.04 L 0.03 V 0.01 C Shift Assignments>> C :: 180.020 CA :: 54.047 CB :: 19.927 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.296 HA :: 4.345 HB :: 1.554 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.792 Ave N Shift Values>> N :: 123.23(3.7) H104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 H 0.31 W 0.3 C Shift Assignments>> C :: 175.940 CA :: 60.045 CB :: 29.814 CD2 :: 118.100 CE1 :: 138.9 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 :: 8.833 HA :: 4.156 HB2 :: 3.281 HB3 :: 3.281 HD2 :: 6.969 HE1 :: 8.019 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.551 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.14 R 0.05 I 0.02 M 0.02 C Shift Assignments>> C :: 176.978 CA :: 57.829 CB :: 28.424 CG :: 34.201 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 :: 7.962 HA :: 4.154 HB2 :: 2.211 HB3 :: 2.165 HG2 :: 2.470 HG3 :: 2.345 HE21 :: 7.578 HE22 :: 6.993 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.602 NE2 :: 111.682 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.24 M 0.01 G 0.01 C Shift Assignments>> C :: 177.537 CA :: 56.890 CB :: 34.103 CG :: 25.431 CD :: 29.224 CE :: 42.281 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 :: 7.450 HA :: 4.566 HB2 :: 2.080 HB3 :: 1.969 HG2 :: 1.649 HG3 :: 1.566 HD2 :: 1.788 HD3 :: 1.726 HE2 :: 3.046 HE3 :: 3.046 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.280 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.36 K 0.13 G 0.1 HN Overlap>> R71 C Shift Assignments>> C :: 174.332 CA :: 57.042 CB :: 32.234 CG :: 27.709 CD :: 43.721 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 :: 7.968 HA :: 4.711 HB2 :: 2.599 HB3 :: 1.699 HG2 :: 2.132 HG3 :: 1.951 HD2 :: 3.556 HD3 :: 3.109 HE :: 7.294 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 :: 113.574 NE :: 80.454 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 G 0.31 C 0.23 R 0.11 C Shift Assignments>> C :: 175.727 CA :: 54.115 CB :: 44.498 CG :: 28.042 CD1 :: 25.913 CD2 :: 25.441 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 :: 7.668 HA :: 5.452 HB2 :: 2.158 HB3 :: 1.221 HG :: 1.896 HD1 :: 1.009 HD2 :: 1.039 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 :: 118.784 Ave N Shift Values>> N :: 121.98(4.07) I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.45 A 0.03 C Shift Assignments>> C :: 172.974 CA :: 57.728 CB :: 40.188 CG1 :: 26.619 CG2 :: 17.262 CD1 :: 12.902 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 :: 8.790 HA :: 4.753 HB :: 1.925 HG2 :: 0.888 HG12 :: 1.324 HG13 :: 1.163 HD1 :: 0.752 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 :: 121.019 Ave N Shift Values>> N :: 121.6(4.72) P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.53 P 0.46 C Shift Assignments>> C :: 175.687 CA :: 60.874 CB :: 32.261 CG :: 27.901 CD :: 51.090 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 :: 5.495 HB2 :: 2.088 HB3 :: 2.059 HG2 :: 2.336 HG3 :: 1.771 HD2 :: 4.251 HD3 :: 3.815 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) I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.48 G 0.01 C Shift Assignments>> C :: 173.870 CA :: 59.609 CB :: 41.831 CG1 :: 27.710 CG2 :: 17.447 CD1 :: 15.670 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 :: 9.462 HA :: 5.252 HB :: 1.882 HG2 :: 1.130 HG12 :: 1.826 HG13 :: 1.293 HD1 :: 1.083 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.871 Ave N Shift Values>> N :: 121.6(4.72) K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.44 K 0.08 G 0.01 M 0.01 C Shift Assignments>> C :: 174.387 CA :: 54.729 CB :: 37.346 CG :: 25.838 CD :: 30.408 CE :: 42.146 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 :: 8.239 HA :: 4.941 HB2 :: 1.758 HB3 :: 1.651 HG2 :: 1.606 HG3 :: 1.221 HD2 :: 1.687 HD3 :: 1.566 HE2 :: 2.883 HE3 :: 2.830 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.643 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 F 0.47 C Shift Assignments>> C :: 171.166 CA :: 56.311 CB :: 40.947 CD1 :: 128.400 CD2 :: 128.559 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 :: 8.758 HA :: 4.882 HB2 :: 2.537 HB3 :: 1.437(S) HD1 :: 6.737 HD2 :: 6.737 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.182 Ave N Shift Values>> N :: 120.79(4.69) K114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 M 0.22 A 0.17 K 0.06 G 0.03 R 0.02 HN Overlap>> C89 C Shift Assignments>> C :: 173.650 CA :: 54.283 CB :: 34.992 CG :: 21.857 CD :: 30.281 CE :: 42.428 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 :: 7.545 HA :: 4.320 HB2 :: 1.529 HB3 :: 1.395 HG2 :: 0.764 HG3 :: 0.169(S) HD2 :: 1.518 HD3 :: 1.399 HE2 :: 3.021 HE3 :: 2.791 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 :: 120.444 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 C 0.02 C Shift Assignments>> C :: 177.351 CA :: 53.070 CB :: 18.891 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.078 HA :: 4.055 HB :: 1.341 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.169 Ave N Shift Values>> N :: 123.23(3.7) M116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 A 0.12 M 0.12 I 0.07 HN Overlap>> A146 C Shift Assignments>> C :: 175.972 CA :: 55.189 CB :: 38.400 CG :: 30.974 CE :: 15.704 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.430 HA :: 4.568 HB2 :: 2.794 HB3 :: 1.629 HG2 :: 2.627 HG3 :: 2.475 HE :: 1.926 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.649 Ave N Shift Values>> N :: 120.1(3.88) K117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.01 C Shift Assignments>> C :: 178.152 CA :: 56.604 CB :: 33.538 CG :: 25.141 CD :: 28.890 CE :: 42.092 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 :: 11.502(S) HA :: 4.405 HB2 :: 1.900 HB3 :: 1.772 HG2 :: 1.522 HG3 :: 1.449 HD2 :: 1.704 HD3 :: 1.708 HE2 :: 3.021 HE3 :: 3.022 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 :: 125.640 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.33 R 0.28 M 0.01 G 0.01 C Shift Assignments>> C :: 175.999 CA :: 55.525 CB :: 33.863 CG :: 25.744 CD :: 29.571 CE :: 42.370 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 :: 8.943 HA :: 4.367 HB2 :: 1.899 HB3 :: 1.831 HG2 :: 1.391 HG3 :: 1.391 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 3.028 HE3 :: 2.993 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.124 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.16 K 0.06 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.239 CA :: 55.509 CB :: 30.706 CG :: 36.145 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 :: 8.145 HA :: 4.239 HB2 :: 2.038 HB3 :: 1.891 HG2 :: 2.373 HG3 :: 2.357 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 :: 118.552 Ave N Shift Values>> N :: 120.68(3.68) F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 F 0.38 C Shift Assignments>> C :: 174.474 CA :: 56.396 CB :: 38.029 CD1 :: 130.80 CD2 :: 130.80 CE1 :: 131.841 CE2 :: 131.814 CZ :: 131.8 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 :: 8.815 HA :: 4.486 HB2 :: 3.112 HB3 :: 2.893 HD1 :: 7.234 HD2 :: 7.234 HE1 :: 7.309 HE2 :: 7.310 HZ :: 7.386 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.218 Ave N Shift Values>> N :: 120.69(4.18) P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.804 CA :: 62.501 CB :: 32.282 CG :: 27.493 CD :: 50.359 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 :: 4.615 HB2 :: 2.460 HB3 :: 2.069 HG2 :: 2.130 HG3 :: 1.953 HD2 :: 3.795 HD3 :: 3.253 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) S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.808 CA :: 62.083 CB :: 62.669 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.898 HA :: 3.959 HB2 :: 4.002 HB3 :: 4.002 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.789 Ave N Shift Values>> N :: 116.3(3.95) I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 175.387 CA :: 61.802 CB :: 38.231 CG1 :: 29.349 CG2 :: 18.671 CD1 :: 14.223 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 :: 8.247 HA :: 4.268 HB :: 1.983 HG2 :: 0.907 HG12 :: 1.498 HG13 :: 1.280 HD1 :: 0.857 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.173 Ave N Shift Values>> N :: 121.6(4.72) L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.21 R 0.08 G 0.06 A 0.05 C Shift Assignments>> C :: 176.664 CA :: 53.911 CB :: 43.049 CG :: 26.862 CD1 :: 25.851 CD2 :: 22.907 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 :: 7.509 HA :: 4.599 HB2 :: 1.713 HB3 :: 1.706 HG :: 1.708 HD1 :: 0.819 HD2 :: 0.794 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.624 Ave N Shift Values>> N :: 121.98(4.07) R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.38 G 0.09 K 0.06 C Shift Assignments>> C :: 176.248 CA :: 58.269 CB :: 30.368 CG :: 27.127 CD :: 43.527 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 :: 7.539 HA :: 3.979 HB2 :: 1.706 HB3 :: 1.392 HG2 :: 1.399 HG3 :: 1.258 HD2 :: 3.075 HD3 :: 3.019 HE :: 6.867 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 :: 118.414 NE :: 84.16 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.47 C Shift Assignments>> C :: 175.034 CA :: 57.685 CB :: 37.726 CD1 :: 131.700 CD2 :: 131.700 CE1 :: 130.80 CE2 :: 130.80 CZ :: 128.700 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 :: 8.233 HA :: 4.644 HB2 :: 3.464 HB3 :: 3.111 HD1 :: 7.312 HD2 :: 7.312 HE1 :: 7.230 HE2 :: 7.230 HZ :: 7.040 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 :: 115.245 Ave N Shift Values>> N :: 120.69(4.18) I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> C :: 175.469 CA :: 60.582 CB :: 39.992 CG1 :: 27.130 CG2 :: 18.328 CD1 :: 14.750 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.425 HA :: 4.395 HB :: 1.834 HG2 :: 1.099 HG12 :: 1.607 HG13 :: 1.056 HD1 :: 0.954 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.427 Ave N Shift Values>> N :: 121.6(4.72) T128 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 :: 173.523 CA :: 64.514 CB :: 69.175 CG2 :: 21.929 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 :: 8.575 HA :: 4.091 HB :: 4.144 HG2 :: 1.264 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 :: 122.760 Ave N Shift Values>> N :: 115.7(5.05) V129 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 :: 176.316 CA :: 61.834 CB :: 33.693 CG1 :: 22.664 CG2 :: 21.390 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 :: 8.460 HA :: 4.154 HB :: 2.047 HG1 :: 0.924 HG2 :: 0.836 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 :: 127.006 Ave N Shift Values>> N :: 121.02(4.96) C130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 I 0.19 C 0.15 L 0.09 Q 0.08 W 0.08 K 0.06 H 0.05 E 0.04 P 0.01 C Shift Assignments>> C :: 173.234 CA :: 59.063 CB :: 26.811 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.708 HA :: 4.591 HB2 :: 3.074 HB3 :: 2.851 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 :: 127.208 Ave N Shift Values>> N :: 119.95(4.79) D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.12 C 0.11 K 0.1 F 0.05 Y 0.04 R 0.04 C Shift Assignments>> C :: 175.905 CA :: 52.964 CB :: 41.477 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 :: 8.859 HA :: 5.132 HB2 :: 3.182 HB3 :: 2.377 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 :: 126.152 Ave N Shift Values>> N :: 120.73(4.2) Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> CA :: 57.413 CB :: 39.469 CD1 :: 132.700 CD2 :: 132.700 CE1 :: 117.700 CE2 :: 117.700 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 :: 9.062 HA :: 3.796 HB2 :: 2.695 HB3 :: 2.223 HD1 :: 6.160 HD2 :: 6.160 HE1 :: 6.715 HE2 :: 6.715 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 :: 128.334 Ave N Shift Values>> N :: 120.79(4.69) T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.934 CA :: 62.660 CB :: 69.035 CG2 :: 21.443 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.368 HA :: 3.994 HB :: 4.143 HG2 :: 0.833 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 :: 107.528 Ave N Shift Values>> N :: 115.7(5.05) N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.16 D 0.16 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> CA :: 51.006 CB :: 38.811 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.812 HB2 :: 3.138 HB3 :: 2.660 HD21 :: 7.722 HD22 :: 7.119 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 112.784 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 178.308 CA :: 64.625 CB :: 31.989 CG :: 27.196 CD :: 51.057 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 :: 4.138 HB2 :: 2.217 HB3 :: 2.018 HG2 :: 2.086 HG3 :: 2.093 HD2 :: 4.077 HD3 :: 3.853 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) C136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.14 R 0.12 W 0.09 P 0.07 K 0.06 Q 0.05 E 0.04 H 0.04 L 0.02 C Shift Assignments>> C :: 175.924 CA :: 60.447 CB :: 27.466 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.251 HA :: 4.409 HB2 :: 3.159 HB3 :: 2.994 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 :: 116.109 Ave N Shift Values>> N :: 119.95(4.79) T137 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 :: 175.358 CA :: 61.539 CB :: 69.239 CG2 :: 21.710 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 :: 7.524 HA :: 4.361 HB :: 4.472 HG2 :: 1.236 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 :: 109.029 Ave N Shift Values>> N :: 115.7(5.05) K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 M 0.01 C Shift Assignments>> C :: 178.373 CA :: 59.225 CB :: 32.705 CG :: 24.777 CD :: 29.045 CE :: 42.026 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 :: 7.432 HA :: 3.956 HB2 :: 1.763 HB3 :: 1.728 HG2 :: 1.338 HG3 :: 1.284 HD2 :: 1.495 HD3 :: 1.409 HE2 :: 2.699 HE3 :: 2.660 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 :: 123.012 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.209 CB :: 62.569 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.441 HA :: 4.266 HB2 :: 3.724 HB3 :: 3.721 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.784 Ave N Shift Values>> N :: 116.3(3.95) W140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.42 H 0.05 C Shift Assignments>> C :: 176.294 CA :: 57.078 CB :: 29.006 CD1 :: 127.500 CE3 :: 120.900 CZ2 :: 115.00 CZ3 :: 122.400 CH2 :: 124.700 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>> HA :: 4.972 HB2 :: 3.510 HB3 :: 3.369 HD1 :: 7.303 HE1 :: 10.242 HE3 :: 7.585 HZ2 :: 7.578 HZ3 :: 7.276 HH2 :: 7.334 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>> NE1 :: 129.418 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) F141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.21 C Shift Assignments>> C :: 177.358 CA :: 63.037 CB :: 40.617 CD1 :: 132.500 CD2 :: 132.500 CE1 :: 130.900 CE2 :: 130.900 CZ :: 128.600 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.697 HA :: 3.813 HB2 :: 3.241 HB3 :: 2.326 HD1 :: 6.081 HD2 :: 6.081 HE1 :: 6.647 HE2 :: 6.647 HZ :: 6.980 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 :: 120.977 Ave N Shift Values>> N :: 120.69(4.18) W142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 W 0.43 H 0.07 HN Overlap>> L97 C Shift Assignments>> C :: 178.626 CA :: 58.622 CB :: 29.422 CD1 :: 129.100 CE3 :: 119.800 CZ2 :: 115.300 CZ3 :: 121.300 CH2 :: 123.700 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 :: 8.071 HA :: 4.656 HB2 :: 3.371 HB3 :: 3.172 HD1 :: 7.512 HE1 :: 10.300 HE3 :: 7.460 HZ2 :: 7.046 HZ3 :: 6.747 HH2 :: 6.622 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 :: 117.412 NE1 :: 129.092 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.697 CA :: 66.718 CB :: 68.654 CG2 :: 22.638 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 :: 8.154 HA :: 4.113 HB :: 4.431 HG2 :: 1.555 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 :: 114.311 Ave N Shift Values>> N :: 115.7(5.05) R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.05 C Shift Assignments>> C :: 179.293 CA :: 59.833 CB :: 29.736 CG :: 27.825 CD :: 43.448 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 :: 8.219 HA :: 3.996 HB2 :: 1.810 HB3 :: 1.741 HG2 :: 1.872 HG3 :: 1.583 HD2 :: 3.055 HD3 :: 3.030 HE :: 7.099 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 :: 121.015 NE :: 84.333 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.31 R 0.13 K 0.01 A 0.01 C Shift Assignments>> CA :: 57.632 CB :: 41.277 CG :: 27.223 CD1 :: 22.669 CD2 :: 27.027 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 :: 7.838 HA :: 4.071 HB2 :: 1.847 HB3 :: 1.104 HG :: 1.510 HD1 :: 0.902 HD2 :: 1.087 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.871 Ave N Shift Values>> N :: 121.98(4.07) A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.33 C 0.05 V 0.03 L 0.02 I 0.02 T 0.01 HN Overlap>> M116 H155 C Shift Assignments>> C :: 178.755 CA :: 55.511 CB :: 19.599 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.452 HA :: 3.772 HB :: 1.528 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.574 Ave N Shift Values>> N :: 123.23(3.7) 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 G 0.01 C Shift Assignments>> C :: 179.855 CA :: 59.059 CB :: 31.917 CG :: 24.915 CD :: 29.393 CE :: 42.375 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 :: 7.769 HA :: 3.228 HB2 :: 1.808 HB3 :: 1.815 HG2 :: 1.336 HG3 :: 1.336 HD2 :: 1.717 HD3 :: 1.717 HE2 :: 3.002 HE3 :: 3.001 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 :: 116.078 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.31 I 0.04 C 0.02 HN Overlap>> K94 C Shift Assignments>> C :: 180.567 CA :: 55.274 CB :: 17.723 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.807 HA :: 4.009 HB :: 1.478 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.708 Ave N Shift Values>> N :: 123.23(3.7) L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.26 R 0.07 G 0.04 A 0.01 C Shift Assignments>> C :: 178.670 CA :: 55.509 CB :: 42.821 CG :: 26.230 CD1 :: 25.911 CD2 :: 23.522 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 :: 8.093 HA :: 4.148 HB2 :: 2.042 HB3 :: 1.146 HG :: 1.995 HD1 :: 0.687 HD2 :: 0.709 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 :: 113.163 Ave N Shift Values>> N :: 121.98(4.07) S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.375 CA :: 59.711 CB :: 64.046 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.884 HA :: 4.214 HB2 :: 4.129 HB3 :: 3.887 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 :: 115.357 Ave N Shift Values>> N :: 116.3(3.95) L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.23 A 0.11 R 0.01 C Shift Assignments>> C :: 175.963 CA :: 53.733 CB :: 41.701 CG :: 25.913 CD1 :: 25.675 CD2 :: 22.516 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 :: 6.985 HA :: 4.569 HB2 :: 1.771 HB3 :: 1.604 HG :: 2.108 HD1 :: 0.934 HD2 :: 0.913 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 :: 122.951 Ave N Shift Values>> N :: 121.98(4.07) P152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.895 CA :: 62.658 CB :: 32.350 CG :: 27.182 CD :: 50.494 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 :: 4.533 HB2 :: 2.441 HB3 :: 2.033 HG2 :: 2.034 HG3 :: 2.010 HD2 :: 3.975 HD3 :: 3.649 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) L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.29 R 0.13 G 0.02 C Shift Assignments>> C :: 177.106 CA :: 55.869 CB :: 42.544 CG :: 27.380 CD1 :: 25.280 CD2 :: 23.673 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 :: 8.740 HA :: 4.305 HB2 :: 1.714 HB3 :: 1.542 HG :: 1.668 HD1 :: 1.049 HD2 :: 0.951 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 :: 120.810 Ave N Shift Values>> N :: 121.98(4.07) E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.14 K 0.07 Q 0.06 I 0.02 C Shift Assignments>> C :: 175.661 CA :: 55.874 CB :: 30.541 CG :: 35.980 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 :: 8.292 HA :: 4.338 HB2 :: 1.974 HB3 :: 1.924 HG2 :: 2.263 HG3 :: 2.243 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 :: 119.841 Ave N Shift Values>> N :: 120.68(3.68) H155 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> A146 C Shift Assignments>> C :: 174.338 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 :: 8.519 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 :: 120.492 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H157 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H158 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H160 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 153 #Clerical: 0 #Suspicious: 6 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 152 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 160 #Suspicious: 0 C Shift Results: #Consistent: 708 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 949 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 1 N Shift Results: #Consistent: 155 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: P14 HB3 = 0.748(S), Expected = 2.05, Std = 0.3900, ChiSquare = 8.4244e-04 P14 HG3 = 0.631(S), Expected = 1.92, Std = 0.3700, ChiSquare = 4.9438e-04 P14 HD3 = 2.244(S), Expected = 3.63, Std = 0.4000, ChiSquare = 5.3023e-04 M34 HA = 2.763(M), Expected = 4.39, Std = 0.4600, ChiSquare = 4.0477e-04 Q37 HB2 = 1.032(S), Expected = 2.05, Std = 0.2800, ChiSquare = 2.7721e-04 Q37 HB3 = 0.488(S), Expected = 2.04, Std = 0.2900, ChiSquare = 8.7120e-08 Q37 HG3 = 1.011(S), Expected = 2.32, Std = 0.2900, ChiSquare = 6.3678e-06 E88 HG2 = 3.017(S), Expected = 2.31, Std = 0.2100, ChiSquare = 7.6083e-04 Y113 HB3 = 1.437(S), Expected = 2.91, Std = 0.3700, ChiSquare = 6.8603e-05 K114 HG3 = 0.169(S), Expected = 1.37, Std = 0.2900, ChiSquare = 3.4522e-05 K117 H = 11.502(S), Expected = 8.22, Std = 0.6400, ChiSquare = 2.9264e-07