G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.15 C 0.09 R 0.09 D 0.01 C Shift Assignments>> C :: 174.688 CA :: 44.878 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.285 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.327 Ave N Shift Values>> N :: 109.91(4.29) S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.864 CA :: 58.628 CB :: 63.316 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.397 HA :: 4.486 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 :: 115.662 Ave N Shift Values>> N :: 116.3(3.95) M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.36 Q 0.11 K 0.04 E 0.02 HN Overlap>> Q10 D9 L54 W81 C Shift Assignments>> C :: 176.004 CA :: 55.503 CB :: 32.378 CG :: 32.066 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 :: 8.600 HA :: 4.532 HB2 :: 2.100 HB3 :: 2.006 HG2 :: 2.595 HG3 :: 2.512 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.568 Ave N Shift Values>> N :: 120.1(3.88) D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.14 C 0.12 K 0.1 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.389 CA :: 54.253 CB :: 40.816 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 :: 8.210 HA :: 4.582 HB2 :: 2.692 HB3 :: 2.632 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 :: 120.686 Ave N Shift Values>> N :: 120.73(4.2) E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.31 K 0.12 Q 0.09 M 0.08 I 0.04 C Shift Assignments>> C :: 176.699 CA :: 56.753 CB :: 29.930 CG :: 35.816 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 :: 8.395 HA :: 4.318 HB2 :: 2.121 HB3 :: 1.963 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.565 Ave N Shift Values>> N :: 120.68(3.68) S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> K82 C Shift Assignments>> C :: 175.020 CA :: 58.628 CB :: 63.628 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.392 HA :: 4.470 HB2 :: 4.016 HB3 :: 3.952 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 :: 116.755 Ave N Shift Values>> N :: 116.3(3.95) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.15 C 0.09 R 0.09 D 0.01 C Shift Assignments>> C :: 173.126 CA :: 44.878 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.392 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.188 Ave N Shift Values>> N :: 109.91(4.29) L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 C 0.16 G 0.04 A 0.02 C Shift Assignments>> C :: 174.525 CA :: 52.066 CB :: 42.378 CG :: 26.128 CD1 :: 23.941 CD2 :: 24.462 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 :: 7.998 HA :: 4.293 HB2 :: 1.386 HB3 :: 0.560 HG :: 1.074 HD1 :: 0.385 HD2 :: 0.200 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.974 Ave N Shift Values>> N :: 121.98(4.07) P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.286 CA :: 62.691 CB :: 31.753 CG :: 27.378 CD :: 50.503 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 :: 4.290 HB2 :: 2.244 HB3 :: 1.699 HG2 :: 2.054 HG3 :: 1.963 HD2 :: 3.842 HD3 :: 3.386 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) Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 K 0.24 E 0.1 R 0.05 M 0.02 HN Overlap>> M3 W81 C Shift Assignments>> C :: 175.763 CA :: 54.878 CB :: 28.316 CG :: 34.253 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 :: 8.530 HA :: 4.456 HB2 :: 1.888 HB3 :: 1.838 HE21 :: 7.600 HE22 :: 6.859 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 :: 121.579 NE2 :: 112.380 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.22 G 0.21 R 0.09 A 0.08 C Shift Assignments>> C :: 177.480 CA :: 53.003 CB :: 43.628 CG :: 26.753 CD1 :: 23.003 CD2 :: 26.753 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 :: 9.182 HA :: 4.702 HB2 :: 1.538 HB3 :: 1.354 HG :: 1.709 HD1 :: 0.825 HD2 :: 0.736 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.349 Ave N Shift Values>> N :: 121.98(4.07) T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.18 C Shift Assignments>> C :: 176.493 CA :: 59.878 CB :: 71.441 CG2 :: 21.656 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.241 HA :: 4.601 HB :: 4.689 HG2 :: 1.351 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.818 Ave N Shift Values>> N :: 115.7(5.05) S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 T 0.25 I 0.21 P 0.14 C 0.04 Y 0.02 W 0.02 S 0.02 C Shift Assignments>> C :: 176.830 CA :: 62.331 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.129 HA :: 4.747 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 :: 117.191 Ave N Shift Values>> N :: 116.3(3.95) Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.23 Y 0.21 E 0.05 HN Overlap>> V39 C Shift Assignments>> C :: 176.723 CA :: 61.128 CB :: 38.003 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 :: 8.069 HA :: 4.180 HB2 :: 3.095 HB3 :: 2.790 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.576 Ave N Shift Values>> N :: 120.79(4.69) D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.18 Y 0.16 C 0.15 D 0.1 R 0.08 I 0.03 N 0.01 C Shift Assignments>> C :: 180.367 CA :: 57.378 CB :: 41.441 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 :: 7.944 HA :: 4.197 HB2 :: 3.082 HB3 :: 2.222 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.630 Ave N Shift Values>> N :: 120.73(4.2) C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 I 0.39 C 0.06 W 0.01 R 0.01 C Shift Assignments>> C :: 174.957 CA :: 63.316 CB :: 27.066 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.614 HA :: 3.983 HB2 :: 3.056 HB3 :: 2.548 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 :: 117.849 Ave N Shift Values>> N :: 119.95(4.79) E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.19 K 0.07 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.578 CA :: 58.941 CB :: 29.253 CG :: 36.441 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 :: 8.520 HA :: 3.848 HB2 :: 2.062 HB3 :: 1.862 HG2 :: 2.312 HG3 :: 2.084 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.224 Ave N Shift Values>> N :: 120.68(3.68) V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.311 CA :: 64.566 CB :: 32.378 CG1 :: 20.503 CG2 :: 21.441 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 :: 7.576 HA :: 3.636 HB :: 1.656 HG1 :: 0.584 HG2 :: 0.527 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 :: 113.701 Ave N Shift Values>> N :: 121.02(4.96) N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 K 0.15 C 0.12 Y 0.09 N 0.08 R 0.03 C Shift Assignments>> C :: 173.421 CA :: 54.878 CB :: 41.128 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.054 HA :: 4.521 HB2 :: 2.471 HB3 :: 2.174 HD21 :: 7.894 HD22 :: 7.671 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.253 ND2 :: 115.443 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 G 0.01 C Shift Assignments>> C :: 171.575 CA :: 49.566 CB :: 17.378 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.120 HA :: 4.080 HB :: 0.861 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.880 Ave N Shift Values>> N :: 123.23(3.7) P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 178.949 CA :: 63.316 CB :: 32.378 CG :: 27.066 CD :: 49.878 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 :: 4.447 HB2 :: 2.432 HB3 :: 1.872 HD2 :: 3.323 HD3 :: 3.183 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.745 CA :: 61.128 CB :: 39.253 CG1 :: 27.378 CG2 :: 18.316 CD1 :: 14.566 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 :: 8.984 HA :: 4.226 HB :: 1.730 HG2 :: 0.818 HD1 :: 0.841 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.662 Ave N Shift Values>> N :: 121.6(4.72) Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.12 M 0.06 R 0.04 C Shift Assignments>> C :: 176.176 CA :: 56.128 CB :: 29.253 CG :: 33.941 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 :: 8.583 HA :: 4.284 HB2 :: 2.349 HB3 :: 2.035 HG2 :: 2.362 HG3 :: 2.310 HE21 :: 7.520 HE22 :: 7.108 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 :: 127.037 NE2 :: 113.255 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.366 CA :: 45.503 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.488 HA2 :: 4.059 HA3 :: 3.789 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.412 Ave N Shift Values>> N :: 109.91(4.29) S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.874 CA :: 58.316 CB :: 62.378 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.340 HA :: 4.243 HB2 :: 3.915 HB3 :: 3.869 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 :: 115.880 Ave N Shift Values>> N :: 116.3(3.95) R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.34 K 0.12 G 0.04 L 0.03 HN Overlap>> Q40 L93 C Shift Assignments>> C :: 175.340 CA :: 56.128 CB :: 29.878 CG :: 27.066 CD :: 43.003 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 :: 7.823 HA :: 4.156 HB2 :: 1.903 HB3 :: 1.720 HG2 :: 1.729 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.599 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.24 C 0.15 Y 0.06 L 0.05 C Shift Assignments>> C :: 174.581 CA :: 52.691 CB :: 39.253 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.045 HA :: 4.660 HB2 :: 2.780 HB3 :: 2.602 HD21 :: 7.557 HD22 :: 6.943 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.202 ND2 :: 112.818 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.25 R 0.05 G 0.01 A 0.01 C Shift Assignments>> C :: 177.265 CA :: 54.253 CB :: 42.066 CG :: 27.066 CD1 :: 24.878 CD2 :: 23.941 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 :: 8.068 HA :: 4.190 HB2 :: 1.584 HB3 :: 1.290 HG :: 1.630 HD1 :: 0.894 HD2 :: 0.846 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 :: 120.693 Ave N Shift Values>> N :: 121.98(4.07) L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.24 R 0.12 G 0.06 A 0.05 C Shift Assignments>> C :: 175.626 CA :: 54.878 CB :: 43.003 CG :: 26.753 CD1 :: 26.441 CD2 :: 22.691 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 :: 7.940 HA :: 4.225 HB2 :: 1.574 HB3 :: 1.020 HG :: 1.843 HD1 :: 0.824 HD2 :: 0.826 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.764 Ave N Shift Values>> N :: 121.98(4.07) Q30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 C 0.35 Q 0.09 K 0.02 E 0.01 C Shift Assignments>> C :: 175.921(D) CA :: 53.628(D) CB :: 32.378(D) CG :: 32.691(D) 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 :: 8.523(D) HA :: 4.321(D) HB2 :: 2.089(D) HB3 :: 1.881(D) HG2 :: 2.569 HG3 :: 2.335 HE21 :: 7.347(D) HE22 :: 6.743(D) 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 :: 116.104(D) NE2 :: 111.505(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 175.466 CA :: 46.441 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.926 HA2 :: 4.101 HA3 :: 3.923 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.764 Ave N Shift Values>> N :: 109.91(4.29) E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.2 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.092 CA :: 58.941 CB :: 28.941 CG :: 36.441 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 :: 9.041 HA :: 3.923 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.191 Ave N Shift Values>> N :: 120.68(3.68) E33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.36 C 0.34 I 0.16 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> C :: 179.832(D) CA :: 58.941(D) CB :: 29.878(D) CG :: 36.441(D) 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 :: 8.067(D) HA :: 3.965(D) HB2 :: 2.122 HB3 :: 2.078 HG2 :: 2.505(D) HG3 :: 2.350(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.412(D) Ave N Shift Values>> N :: 120.68(3.68) L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.35 R 0.15 G 0.01 K 0.01 C Shift Assignments>> C :: 176.505 CA :: 57.691 CB :: 42.066 CG :: 27.378 CD1 :: 25.566 CD2 :: 25.816 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 :: 7.335 HA :: 3.764 HB2 :: 1.668 HB3 :: 1.365 HG :: 1.270 HD1 :: 0.904 HD2 :: 0.834 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 :: 118.730 Ave N Shift Values>> N :: 121.98(4.07) L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.43 A 0.03 R 0.01 C Shift Assignments>> C :: 178.936 CA :: 56.753 CB :: 40.503 CG :: 27.066 CD1 :: 25.191 CD2 :: 22.066 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 :: 6.670 HA :: 3.662 HB2 :: 1.931 HB3 :: 1.415 HG :: 1.576 HD1 :: 1.001 HD2 :: 0.749 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 :: 115.005 Ave N Shift Values>> N :: 121.98(4.07) R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.09 G 0.07 C Shift Assignments>> C :: 179.359 CA :: 58.628 CB :: 30.191 CG :: 27.378 CD :: 43.316 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.909 HA :: 4.141 HB2 :: 1.871 HG2 :: 1.812 HG3 :: 1.773 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.543 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.39 C 0.03 I 0.01 C Shift Assignments>> C :: 179.039 CA :: 54.253 CB :: 18.941 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.453 HA :: 4.117 HB :: 1.464 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.378 Ave N Shift Values>> N :: 123.23(3.7) L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.36 A 0.06 R 0.03 C Shift Assignments>> C :: 177.062 CA :: 55.503 CB :: 41.128 CG :: 26.066 CD1 :: 26.441 CD2 :: 22.378 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 :: 7.176 HA :: 4.203 HB3 :: 1.363 HG :: 1.776 HD1 :: 0.606 HD2 :: 0.509 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 :: 115.443 Ave N Shift Values>> N :: 121.98(4.07) D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 K 0.16 C 0.13 Y 0.1 N 0.07 R 0.04 C Shift Assignments>> C :: 176.607 CA :: 55.191 CB :: 41.128 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.593 HA :: 4.764 HB2 :: 2.846 HB3 :: 2.810 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 :: 118.505 Ave N Shift Values>> N :: 120.73(4.2) Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.21 E 0.16 M 0.09 R 0.02 HN Overlap>> R26 L93 C Shift Assignments>> C :: 175.612 CA :: 56.128 CB :: 29.566 CG :: 34.253 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 :: 7.913 HA :: 4.411 HB2 :: 2.227 HB3 :: 2.143 HG2 :: 2.434 HG3 :: 2.401 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.599 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> D100 C Shift Assignments>> C :: 174.991 CA :: 62.066 CB :: 32.691 CG1 :: 21.128 CG2 :: 20.191 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 :: 8.129 HA :: 4.239 HB :: 2.184 HG1 :: 0.982 HG2 :: 0.982 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.474 Ave N Shift Values>> N :: 121.02(4.96) N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.19 C 0.15 L 0.14 Y 0.12 K 0.05 C Shift Assignments>> C :: 179.494 CA :: 54.566 CB :: 40.191 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.024 HA :: 4.473 HB2 :: 2.766 HB3 :: 2.645 HD21 :: 7.392 HD22 :: 6.744 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.474 ND2 :: 112.599 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.184 CA :: 58.003 CB :: 63.316 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.491 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.15 C 0.09 R 0.09 D 0.01 C Shift Assignments>> C :: 173.822 CA :: 44.878 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.456 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.851 Ave N Shift Values>> N :: 109.91(4.29) A5 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 :: 177.544 CA :: 52.066 CB :: 18.941 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.094 HA :: 4.267 HB :: 1.312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.317 Ave N Shift Values>> N :: 123.23(3.7) H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 K 0.12 C 0.12 R 0.12 W 0.11 E 0.1 M 0.05 L 0.01 HN Overlap>> V21 L24 C92 C Shift Assignments>> C :: 174.876 CA :: 55.191 CB :: 29.566 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 :: 8.365 HA :: 4.774 HB2 :: 3.270 HB3 :: 3.154 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 :: 118.305 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.07 HN Overlap>> N36 C Shift Assignments>> C :: 173.657 CA :: 61.441 CB :: 69.566 CG2 :: 21.441 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 :: 8.039 HA :: 4.322 HB :: 4.147 HG2 :: 1.205 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.468 Ave N Shift Values>> N :: 115.7(5.05) A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 176.854 CA :: 52.378 CB :: 18.941 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.375 HA :: 4.167 HB :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.612 Ave N Shift Values>> N :: 123.23(3.7) D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.23 C 0.15 G 0.12 R 0.09 N 0.07 K 0.04 Y 0.01 HN Overlap>> M3 L54 C Shift Assignments>> C :: 174.680 CA :: 51.128 CB :: 42.691 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 :: 8.666 HA :: 5.057 HB2 :: 2.770 HB3 :: 2.675 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 :: 121.578 Ave N Shift Values>> N :: 120.73(4.2) P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 178.898 CA :: 64.878 CB :: 32.378 CG :: 27.378 CD :: 51.128 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 :: 4.205 HB2 :: 2.399 HB3 :: 2.036 HG2 :: 2.154 HG3 :: 2.038 HD2 :: 3.941 HD3 :: 3.875 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) E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 K 0.13 I 0.12 Q 0.07 M 0.02 HN Overlap>> N97 C Shift Assignments>> C :: 179.417 CA :: 58.628 CB :: 28.941 CG :: 35.816 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 :: 8.297 HA :: 4.145 HB2 :: 2.122 HB3 :: 2.087 HG2 :: 2.351 HG3 :: 2.236 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 :: 118.501 Ave N Shift Values>> N :: 120.68(3.68) K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.25 M 0.01 C Shift Assignments>> C :: 178.860 CA :: 58.003 CB :: 31.753 CG :: 25.191 CD :: 28.316 CE :: 41.753 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 :: 7.791 HA :: 3.985 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.946 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.36 G 0.22 K 0.02 C Shift Assignments>> C :: 177.478 CA :: 60.503 CB :: 29.878 CG :: 28.003 CD :: 43.941 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 :: 8.123 HA :: 3.655 HB2 :: 1.944 HB3 :: 1.791 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.856 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.19 M 0.02 HN Overlap>> L15 C Shift Assignments>> C :: 178.876 CA :: 59.253 CB :: 31.753 CG :: 24.566 CD :: 28.941 CE :: 41.753 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 :: 7.514 HA :: 4.143 HG2 :: 1.576 HG3 :: 1.406 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.734 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.4 R 0.05 HN Overlap>> K14 C Shift Assignments>> C :: 180.354 CA :: 58.316 CB :: 41.753 CG :: 26.441 CD1 :: 25.503 CD2 :: 22.066 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 :: 7.530 HA :: 4.079 HB2 :: 2.053 HB3 :: 1.510 HG :: 1.941 HD1 :: 0.863 HD2 :: 0.863 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 :: 118.736 Ave N Shift Values>> N :: 121.98(4.07) I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.12 HN Overlap>> Q76 C Shift Assignments>> C :: 176.822 CA :: 65.503 CB :: 37.378 CG1 :: 30.503 CG2 :: 17.066 CD1 :: 15.816 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 :: 8.261 HA :: 3.380 HB :: 1.957 HG2 :: 0.735 HD1 :: 0.646 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.003 Ave N Shift Values>> N :: 121.6(4.72) Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.2 K 0.19 E 0.17 I 0.05 M 0.03 R 0.03 C Shift Assignments>> C :: 177.564 CA :: 59.566 CB :: 29.253 CG :: 34.253 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 :: 8.219 HA :: 3.798 HB2 :: 2.398 HB3 :: 2.233 HG2 :: 2.709 HG3 :: 2.404 HE21 :: 7.698 HE22 :: 6.642 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.160 NE2 :: 111.068 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.21 K 0.21 E 0.17 I 0.04 R 0.04 M 0.01 HN Overlap>> D88 C Shift Assignments>> C :: 178.169 CA :: 58.316 CB :: 28.316 CG :: 34.566 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 :: 8.220 HA :: 3.951 HB2 :: 2.156 HB3 :: 2.074 HG2 :: 2.510 HG3 :: 2.401 HE21 :: 7.762 HE22 :: 6.898 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 :: 116.535 NE2 :: 111.068 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.17 K 0.15 I 0.09 E 0.09 R 0.06 P 0.03 C Shift Assignments>> C :: 177.353 CA :: 59.878 CB :: 27.378 CG :: 34.253 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.315 HA :: 3.803 HG2 :: 2.087 HG3 :: 2.062 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 :: 121.787 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 L 0.11 A 0.04 R 0.03 C Shift Assignments>> C :: 177.479 CA :: 58.316 CB :: 40.816 CG :: 26.441 CD1 :: 20.503 CD2 :: 26.128 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 :: 8.406 HA :: 3.952 HB2 :: 1.957 HB3 :: 1.275 HG :: 1.077 HD1 :: 0.349 HD2 :: 0.662 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 :: 120.481 Ave N Shift Values>> N :: 121.98(4.07) V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> H6 L24 C92 C Shift Assignments>> C :: 179.425 CA :: 67.066 CB :: 31.753 CG1 :: 20.816 CG2 :: 23.628 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 :: 8.315 HA :: 3.444 HB :: 2.157 HG1 :: 0.912 HG2 :: 1.077 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.287 Ave N Shift Values>> N :: 121.02(4.96) L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.32 R 0.17 G 0.05 C Shift Assignments>> C :: 178.745 CA :: 57.476 CB :: 43.003 CG :: 27.691 CD1 :: 24.253 CD2 :: 25.191 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 :: 7.736 HA :: 4.102 HB2 :: 1.962 HB3 :: 1.426 HG :: 1.707 HD1 :: 0.875 HD2 :: 0.844 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 :: 120.700 Ave N Shift Values>> N :: 121.98(4.07) L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.35 R 0.1 G 0.04 HN Overlap>> Q41 C Shift Assignments>> C :: 177.949 CA :: 58.941 CB :: 42.691 CG :: 27.378 CD1 :: 24.878 CD2 :: 23.316 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 :: 8.488 HA :: 3.861 HB2 :: 2.092 HB3 :: 1.198 HG :: 1.871 HD1 :: 0.904 HD2 :: 0.952 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 :: 122.879 Ave N Shift Values>> N :: 121.98(4.07) L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.37 R 0.05 HN Overlap>> H6 V21 C92 C Shift Assignments>> C :: 180.167 CA :: 58.420 CB :: 41.441 CG :: 27.066 CD1 :: 25.191 CD2 :: 23.316 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 :: 8.324 HA :: 3.871 HB2 :: 1.795 HB3 :: 1.368 HG :: 1.297 HD1 :: 0.297 HD2 :: 0.606 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 :: 118.287 Ave N Shift Values>> N :: 121.98(4.07) H25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 C 0.14 R 0.13 W 0.09 K 0.06 Q 0.06 P 0.05 E 0.05 H 0.04 L 0.03 C Shift Assignments>> C :: 176.660 CA :: 60.191 CB :: 27.378 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 :: 8.242 HA :: 4.100 HB2 :: 3.357 HB3 :: 3.253 HD2 :: 7.160 HE1 :: 7.921 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 :: 117.193 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.38 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 178.913 CA :: 55.191 CB :: 18.628 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.223 HA :: 3.993 HB :: 1.499 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.787 Ave N Shift Values>> N :: 123.23(3.7) H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.15 R 0.13 E 0.12 H 0.09 K 0.08 M 0.08 Q 0.06 V 0.05 I 0.03 C Shift Assignments>> C :: 177.014 CA :: 58.628 CB :: 31.128 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 :: 8.007 HA :: 4.381 HB2 :: 3.133 HB3 :: 3.060 HD2 :: 6.987 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.224 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.4 L 0.11 K 0.05 G 0.01 C Shift Assignments>> C :: 177.783 CA :: 58.628 CB :: 27.284 CG :: 24.878 CD :: 28.941 CE :: 42.066 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 :: 7.186 HA :: 3.744 HB2 :: 1.822 HB3 :: 1.781 HG2 :: 1.575 HG3 :: 1.394 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.724 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.14 P 0.11 V 0.1 W 0.1 E 0.03 R 0.03 K 0.02 H 0.02 Q 0.01 C Shift Assignments>> C :: 177.445 CA :: 62.378 CB :: 29.253 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.713 HA :: 3.677 HB2 :: 2.563 HB3 :: 2.059 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 :: 123.974 Ave N Shift Values>> N :: 119.95(4.79) R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.34 K 0.15 G 0.04 L 0.04 C Shift Assignments>> C :: 178.327 CA :: 58.003 CB :: 29.566 CG :: 26.910 CD :: 43.003 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 :: 7.679 HA :: 4.040 HG2 :: 1.500 HG3 :: 1.480 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.378 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.09 G 0.06 L 0.01 C Shift Assignments>> C :: 177.630 CA :: 57.691 CB :: 30.191 CG :: 26.851 CD :: 43.316 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.904 HA :: 4.143 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.037 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.25 E 0.11 R 0.06 M 0.03 C Shift Assignments>> C :: 176.854 CA :: 56.441 CB :: 28.628 CG :: 33.941 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 :: 8.109 HA :: 4.225 HB2 :: 2.108 HB3 :: 2.080 HG2 :: 2.492 HG3 :: 2.472 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.721 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.25 C 0.02 C Shift Assignments>> C :: 177.922 CA :: 53.003 CB :: 18.941 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.960 HA :: 4.275 HB :: 1.426 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.439 Ave N Shift Values>> N :: 123.23(3.7) N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.18 C 0.17 Y 0.08 L 0.03 E 0.01 HN Overlap>> T7 C Shift Assignments>> C :: 175.617 CA :: 53.003 CB :: 38.628 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.096 HA :: 4.699 HB2 :: 2.868 HB3 :: 2.823 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.443 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.059 CA :: 45.503 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.223 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.889 Ave N Shift Values>> N :: 109.91(4.29) E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.31 M 0.12 K 0.1 Q 0.09 I 0.02 C Shift Assignments>> C :: 176.079 CA :: 55.816 CB :: 30.191 CG :: 35.816 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 :: 8.092 HA :: 4.300 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 :: 119.819 Ave N Shift Values>> N :: 120.68(3.68) V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 A 0.39 V 0.09 HN Overlap>> Y14 C Shift Assignments>> C :: 175.879 CA :: 54.644 CB :: 32.378 CG1 :: 20.816 CG2 :: 20.503 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 :: 8.122 HA :: 4.090 HB :: 2.040 HG1 :: 0.883 HG2 :: 0.915 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.565 Ave N Shift Values>> N :: 121.02(4.96) R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.13 G 0.04 C Shift Assignments>> C :: 175.721 CA :: 55.503 CB :: 30.816 CG :: 26.753 CD :: 43.003 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 :: 8.470 HA :: 4.342 HB2 :: 1.607 HB3 :: 1.573 HG2 :: 1.770 HG3 :: 1.720 HD2 :: 3.180 HD3 :: 3.166 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.514 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.24 E 0.11 M 0.07 R 0.04 HN Overlap>> L23 C Shift Assignments>> C :: 175.141 CA :: 55.503 CB :: 29.253 CG :: 33.941 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 :: 8.518 HA :: 4.232 HB2 :: 1.987 HB3 :: 1.915 HE21 :: 7.541 HE22 :: 6.860 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.893 NE2 :: 112.818 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.12 I 0.12 R 0.1 H 0.08 Q 0.07 K 0.07 V 0.05 M 0.02 P 0.01 C Shift Assignments>> C :: 175.896 CA :: 59.878 CB :: 29.878 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.609 HA :: 4.235 HB2 :: 2.794 HB3 :: 2.741 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 :: 126.380 Ave N Shift Values>> N :: 119.95(4.79) N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.24 C 0.14 Y 0.06 L 0.04 C Shift Assignments>> C :: 176.596 CA :: 52.378 CB :: 39.253 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.731 HA :: 4.918 HB2 :: 2.852 HB3 :: 2.722 HD21 :: 7.491 HD22 :: 6.807 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.689 ND2 :: 112.162 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.69 C 0.24 A 0.04 C Shift Assignments>> CA :: 53.941 CB :: 41.441 CG :: 26.441 CD1 :: 23.941 CD2 :: 23.316 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 :: 4.389 HG :: 1.423 HD1 :: 0.577 HD2 :: 0.274 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) P45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.452 HB2 :: 2.360 HB3 :: 1.847 HG2 :: 2.109 HG3 :: 1.968 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) H46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD2 :: 7.056 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) C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 P 0.31 C 0.08 V 0.07 W 0.03 C Shift Assignments>> C :: 176.545 CA :: 64.253 CB :: 28.628 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.692 HA :: 3.978 HB2 :: 3.074 HB3 :: 2.708 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 :: 124.193 Ave N Shift Values>> N :: 119.95(4.79) R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 C 0.29 R 0.22 L 0.14 G 0.01 C Shift Assignments>> C :: 178.756 CA :: 59.253 CB :: 28.316 CG :: 26.128 CD :: 42.378 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 :: 8.362 HA :: 3.914 HB2 :: 2.023 HB3 :: 1.949 HG2 :: 1.783 HG3 :: 1.744 HD2 :: 3.306 HD3 :: 3.246 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.412 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> S79 C Shift Assignments>> C :: 176.558 CA :: 66.128 CB :: 68.628 CG2 :: 21.441 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 :: 7.798 HA :: 3.963 HB :: 4.211 HG2 :: 1.243 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 :: 114.787 Ave N Shift Values>> N :: 115.7(5.05) M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.41 A 0.08 C Shift Assignments>> C :: 178.713 CA :: 56.753 CB :: 31.753 CG :: 33.628 CE :: 17.691 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 :: 8.051 HA :: 4.521 HB2 :: 2.222 HB3 :: 1.841 HG2 :: 2.570 HG3 :: 2.524 HE :: 1.665 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 :: 120.046 Ave N Shift Values>> N :: 120.1(3.88) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.36 K 0.12 G 0.01 C Shift Assignments>> C :: 178.887 CA :: 61.128 CB :: 32.691 CG :: 27.378 CD :: 30.191 CE :: 42.066 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 :: 9.179 HA :: 3.872 HB2 :: 2.055 HB3 :: 1.826 HG2 :: 2.064 HG3 :: 1.184 HD2 :: 1.692 HD3 :: 1.609 HE2 :: 3.277 HE3 :: 2.700 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 :: 122.667 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.22 Y 0.17 N 0.11 M 0.06 I 0.03 D 0.02 K 0.02 C Shift Assignments>> C :: 179.190 CA :: 55.816 CB :: 37.066 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.941 HA :: 4.558 HB2 :: 3.185 HB3 :: 2.926 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.412 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 177.814 CA :: 68.238 CB :: 31.753 CG1 :: 20.816 CG2 :: 23.316 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 :: 8.160 HA :: 3.753 HB :: 2.407 HG1 :: 0.963 HG2 :: 1.242 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.537 Ave N Shift Values>> N :: 121.02(4.96) L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.36 R 0.03 HN Overlap>> M3 D9 C Shift Assignments>> C :: 178.745 CA :: 58.941 CB :: 41.753 CG :: 26.441 CD1 :: 25.191 CD2 :: 23.628 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 :: 8.656 HA :: 3.907 HB2 :: 2.013 HB3 :: 1.496 HG :: 1.749 HD1 :: 0.894 HD2 :: 0.741 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 :: 121.568 Ave N Shift Values>> N :: 121.98(4.07) N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Y 0.21 E 0.15 N 0.15 D 0.06 I 0.04 M 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 177.563 CA :: 55.816 CB :: 37.691 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.077 HA :: 4.464 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.099 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.18 R 0.17 C 0.14 W 0.1 K 0.09 Q 0.08 E 0.06 H 0.06 L 0.06 P 0.01 C Shift Assignments>> C :: 177.719 CA :: 59.253 CB :: 27.378 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.880 HA :: 4.397 HB2 :: 3.509 HB3 :: 3.396 HD1 :: 9.423 HD2 :: 7.219 HE1 :: 8.005 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 :: 118.731 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.32 A 0.26 C Shift Assignments>> C :: 178.877 CA :: 53.378 CB :: 33.941 CG :: 29.878 CE :: 16.128 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 :: 9.406 HA :: 3.804 HB2 :: 2.352 HB3 :: 2.137 HG2 :: 2.927 HG3 :: 2.854 HE :: 1.901 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 :: 119.599 Ave N Shift Values>> N :: 120.1(3.88) T58 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 :: 174.069 CA :: 64.878 CB :: 68.628 CG2 :: 21.441 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 :: 8.535 HA :: 3.685 HB :: 3.999 HG2 :: 1.160 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 :: 109.537 Ave N Shift Values>> N :: 115.7(5.05) H59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 K 0.13 C 0.12 W 0.11 R 0.1 E 0.09 M 0.04 L 0.02 C Shift Assignments>> C :: 172.977 CA :: 54.878 CB :: 29.253 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.405 HA :: 4.802 HB2 :: 3.474 HB3 :: 3.024 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.443 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) C60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 I 0.14 E 0.11 R 0.09 H 0.07 V 0.06 Q 0.06 K 0.06 M 0.02 P 0.01 C Shift Assignments>> C :: 176.715 CA :: 60.191 CB :: 29.878 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.990 HA :: 4.100 HB2 :: 2.506 HB3 :: 1.958 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 :: 123.768 Ave N Shift Values>> N :: 119.95(4.79) Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.24 E 0.08 M 0.07 R 0.05 C Shift Assignments>> C :: 176.677 CA :: 55.191 CB :: 29.253 CG :: 33.628 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 :: 9.114 HA :: 4.768 HB2 :: 2.467 HB3 :: 1.895 HG2 :: 2.406 HG3 :: 2.367 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 :: 129.005 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.403 CA :: 59.878 CB :: 63.003 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.843 HA :: 4.493 HB2 :: 3.833 HB3 :: 3.768 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 :: 118.731 Ave N Shift Values>> N :: 116.3(3.95) G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 176.286 CA :: 46.128 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.200 HA2 :: 3.941 HA3 :: 3.529 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.537 Ave N Shift Values>> N :: 109.91(4.29) K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.02 C Shift Assignments>> C :: 176.402 CA :: 58.628 CB :: 31.753 CG :: 24.878 CD :: 29.253 CE :: 41.753 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 :: 9.070 HA :: 4.125 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 :: 125.505 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.713 CA :: 58.003 CB :: 63.003 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.819 HA :: 4.455 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 :: 112.378 Ave N Shift Values>> N :: 116.3(3.95) C66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 C 0.14 V 0.12 P 0.12 W 0.11 E 0.04 R 0.04 H 0.02 K 0.02 Q 0.02 C Shift Assignments>> C :: 177.306 CA :: 62.066 CB :: 29.566 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.363 HA :: 3.917 HB2 :: 2.819 HB3 :: 2.705 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 :: 124.190 Ave N Shift Values>> N :: 119.95(4.79) Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.25 C 0.24 E 0.1 R 0.05 M 0.05 C Shift Assignments>> C :: 176.275 CA :: 55.191 CB :: 28.941 CG :: 33.941 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 :: 9.156 HA :: 4.442 HB2 :: 2.475 HG2 :: 2.471 HG3 :: 2.403 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 :: 129.878 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 177.070 CA :: 64.253 CB :: 30.816 CG1 :: 19.878 CG2 :: 22.378 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 :: 9.260 HA :: 3.593 HB :: 1.860 HG1 :: 0.421 HG2 :: 0.558 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 :: 127.693 Ave N Shift Values>> N :: 121.02(4.96) A69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> A 0.49 M 0.47 C 0.02 I 0.01 C Shift Assignments>> C :: 177.207 CA :: 53.941 CB :: 17.378 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.650 HA :: 3.687 HB :: 0.881 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 106.265(S) Ave N Shift Values>> N :: 123.23(3.7) H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.13 H 0.13 E 0.13 W 0.13 C 0.11 R 0.1 M 0.03 I 0.03 L 0.01 C Shift Assignments>> C :: 175.921 CA :: 57.066 CB :: 29.253 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 :: 8.005 HA :: 4.414 HB2 :: 3.676 HB3 :: 2.847 HD2 :: 6.530 HE1 :: 7.447 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 :: 110.206 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 P 0.28 V 0.2 C 0.1 W 0.05 R 0.01 E 0.01 C Shift Assignments>> C :: 175.157 CA :: 63.628 CB :: 29.878 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.061 HA :: 4.183 HB2 :: 3.315 HB3 :: 2.541 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.817 Ave N Shift Values>> N :: 119.95(4.79) A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 182.150 CA :: 55.191 CB :: 17.691 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.802 HA :: 4.320 HB :: 1.510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.161 Ave N Shift Values>> N :: 123.23(3.7) S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.872 CA :: 59.878 CB :: 61.753 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.082 HA :: 4.068 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.566 Ave N Shift Values>> N :: 116.3(3.95) S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 175.115 CA :: 63.628 CB :: 62.378 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.748 HA :: 3.971 HB2 :: 4.627 HB3 :: 3.535 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.255 Ave N Shift Values>> N :: 116.3(3.95) R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.11 G 0.06 C Shift Assignments>> C :: 180.568 CA :: 60.503 CB :: 30.503 CG :: 27.671 CD :: 43.003 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 :: 8.996 HA :: 3.692 HB2 :: 2.124 HB3 :: 1.903 HD2 :: 3.526 HD3 :: 3.078 HE :: 8.754 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.972 NE :: 110.412 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.2 K 0.15 R 0.1 E 0.06 I 0.04 P 0.01 HN Overlap>> I16 C Shift Assignments>> C :: 177.789 CA :: 58.941 CB :: 26.851 CG :: 33.941 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 :: 8.217 HA :: 3.862 HB2 :: 2.429 HB3 :: 2.411 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.003 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 C Shift Assignments>> C :: 177.814 CA :: 66.753 CB :: 38.628 CG1 :: 28.941 CG2 :: 18.316 CD1 :: 13.941 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 :: 8.700 HA :: 3.535 HB :: 1.788 HG2 :: 0.828 HD1 :: 0.785 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 :: 120.918 Ave N Shift Values>> N :: 121.6(4.72) I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 177.594 CA :: 65.503 CB :: 37.691 CG1 :: 29.566 CG2 :: 18.941 CD1 :: 14.566 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 :: 8.968 HA :: 3.660 HB :: 1.666 HG2 :: 0.996 HD1 :: 0.783 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 :: 119.816 Ave N Shift Values>> N :: 121.6(4.72) S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T49 C Shift Assignments>> C :: 176.035 CA :: 63.003 CB :: 63.003 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.798 HA :: 4.231 HB2 :: 4.147 HB3 :: 4.027 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.796 Ave N Shift Values>> N :: 116.3(3.95) H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.14 R 0.12 P 0.08 W 0.08 K 0.04 Q 0.04 E 0.03 H 0.03 L 0.03 C Shift Assignments>> C :: 175.701 CA :: 60.503 CB :: 27.066 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 :: 8.555 HA :: 3.980 HB2 :: 3.587 HB3 :: 3.203 HD2 :: 6.662 HE1 :: 8.091 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 :: 121.786 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) W81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 I 0.14 E 0.12 R 0.09 K 0.08 H 0.08 Q 0.07 V 0.04 M 0.02 HN Overlap>> M3 Q10 C Shift Assignments>> C :: 177.625 CA :: 59.878 CB :: 29.566 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 :: 8.512 HA :: 4.461 HB2 :: 3.602 HB3 :: 3.395 HD1 :: 7.051 HE1 :: 9.900 HE3 :: 8.188 HZ2 :: 7.461 HZ3 :: 7.038 HH2 :: 7.046 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 :: 121.568 NE1 :: 128.568 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.43 G 0.01 HN Overlap>> S6 C Shift Assignments>> C :: 176.632 CA :: 57.691 CB :: 32.378 CG :: 29.983(S) CD :: 28.628 CE :: 42.066 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 :: 8.363 HA :: 3.765 HD2 :: 1.505 HD3 :: 1.463 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 :: 116.755 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.12 K 0.11 C 0.11 Y 0.05 R 0.04 C Shift Assignments>> C :: 173.378 CA :: 53.316 CB :: 41.441 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 6.896 HA :: 4.556 HB2 :: 2.795 HB3 :: 2.541 HD21 :: 7.535 HD22 :: 7.348 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.825 ND2 :: 114.568 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) C84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.14 W 0.12 R 0.07 K 0.06 P 0.06 E 0.06 Q 0.05 H 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 176.379 CA :: 60.816 CB :: 28.316 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.321 HA :: 3.991 HB2 :: 2.793 HB3 :: 1.911 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 :: 123.096 Ave N Shift Values>> N :: 119.95(4.79) T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 60.503 CB :: 69.253 CG2 :: 21.128 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 :: 8.437 HA :: 4.507 HB :: 4.507 HG2 :: 1.079 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 :: 118.956 Ave N Shift Values>> N :: 115.7(5.05) R86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.404 HA :: 4.003 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 112.818 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.15 Q 0.14 W 0.12 E 0.11 C 0.11 H 0.11 R 0.11 I 0.05 L 0.03 M 0.02 C Shift Assignments>> C :: 174.634 CA :: 57.691 CB :: 28.628 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.401 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) D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.22 C 0.15 Y 0.04 L 0.03 HN Overlap>> Q18 C Shift Assignments>> C :: 175.240 CA :: 51.441 CB :: 39.253 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 :: 8.208 HA :: 4.521 HB2 :: 2.828 HB3 :: 2.361 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.537 Ave N Shift Values>> N :: 120.73(4.2) C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 E 0.14 H 0.13 C 0.13 Q 0.1 M 0.07 K 0.06 I 0.02 V 0.01 C Shift Assignments>> C :: 174.529 CA :: 57.378 CB :: 30.503 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.078 HA :: 4.311 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.453 Ave N Shift Values>> N :: 119.95(4.79) P90 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 :: 177.814 CA :: 63.628 CB :: 32.378 CG :: 27.066 CD :: 50.816 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 :: 4.439 HB2 :: 2.335 HB3 :: 1.869 HG2 :: 2.098 HG3 :: 1.961 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) V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 176.537 CA :: 66.128 CB :: 33.003 CG1 :: 22.066 CG2 :: 21.441 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 :: 8.571 HA :: 3.730 HB :: 2.229 HG1 :: 0.848 HG2 :: 0.864 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.474 Ave N Shift Values>> N :: 121.02(4.96) C92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.4 V 0.3 I 0.11 C 0.09 W 0.04 R 0.01 HN Overlap>> H6 V21 L24 C Shift Assignments>> C :: 177.779 CA :: 63.316 CB :: 31.128 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.379 HA :: 4.234 HB2 :: 3.142 HB3 :: 2.926 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 :: 118.283 Ave N Shift Values>> N :: 119.95(4.79) L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.3 HN Overlap>> R26 Q40 C Shift Assignments>> C :: 176.077 CA :: 59.566 CB :: 39.253 CG :: 27.066 CD1 :: 23.941 CD2 :: 24.878 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.867 HA :: 4.227 HB2 :: 1.804 HB3 :: 1.714 HG :: 1.591 HD1 :: 0.852 HD2 :: 0.867 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.599 Ave N Shift Values>> N :: 121.98(4.07) P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> C :: 177.312 CA :: 64.878 CB :: 31.128 CG :: 28.003 CD :: 49.878 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 :: 4.430 HB2 :: 2.347 HB3 :: 1.672 HG2 :: 1.937 HG3 :: 1.882 HD2 :: 3.635 HD3 :: 3.443 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) L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.29 R 0.14 G 0.01 A 0.01 C Shift Assignments>> C :: 178.201 CA :: 55.503 CB :: 42.066 CG :: 27.691 CD1 :: 25.503 CD2 :: 23.628 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 :: 7.647 HA :: 4.341 HB2 :: 2.079 HB3 :: 1.752 HG :: 1.720 HD1 :: 0.833 HD2 :: 0.732 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 :: 116.972 Ave N Shift Values>> N :: 121.98(4.07) K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.19 M 0.02 C Shift Assignments>> C :: 176.723 CA :: 56.753 CB :: 33.003 CG :: 25.191 CD :: 28.941 CE :: 42.066 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 :: 7.904 HA :: 4.387 HG2 :: 1.586 HG3 :: 1.439 HE2 :: 2.763 HE3 :: 2.624 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.818 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.18 C 0.17 Y 0.08 L 0.03 E 0.01 HN Overlap>> E11 C Shift Assignments>> C :: 174.991 CA :: 53.003 CB :: 38.628 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.332 HA :: 4.728 HB2 :: 2.874 HB3 :: 2.752 HD21 :: 7.613 HD22 :: 6.907 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.504 ND2 :: 112.818 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.25 C 0.02 C Shift Assignments>> C :: 178.097 CA :: 53.003 CB :: 18.941 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.164 HA :: 4.321 HB :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.208 Ave N Shift Values>> N :: 123.23(3.7) G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.904 CA :: 45.191 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.341 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.562 Ave N Shift Values>> N :: 109.91(4.29) D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.14 C 0.12 K 0.1 Y 0.08 R 0.02 HN Overlap>> V41 C Shift Assignments>> C :: 175.302 CA :: 54.253 CB :: 40.816 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 :: 8.219 HA :: 4.629 HB2 :: 2.720 HB3 :: 2.626 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 :: 120.474 Ave N Shift Values>> N :: 120.73(4.2) K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.42 R 0.11 M 0.02 C Shift Assignments>> C :: 181.357 CA :: 57.378 CB :: 33.628 CG :: 24.253 CD :: 28.941 CE :: 41.753 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 :: 7.836 HA :: 4.168 HB2 :: 1.833 HB3 :: 1.713 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 :: 125.954 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 137 #Clerical: 2 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 136 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 141 #Suspicious: 0 C Shift Results: #Consistent: 540 #Duplicate: 8 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 645 #Duplicate: 10 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 139 #Duplicate: 3 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: Q30 C = 175.921(D), Expected = 176.39, Std = 1.9600, ChiSquare = 8.1088e-01 Q30 CA = 53.628(D), Expected = 56.62, Std = 2.1900, ChiSquare = 1.7187e-01 Q30 CB = 32.378(D), Expected = 29.10, Std = 1.9700, ChiSquare = 9.6121e-02 Q30 CG = 32.691(D), Expected = 33.72, Std = 1.1000, ChiSquare = 3.4955e-01 Q30 H = 8.523(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.2505e-01 Q30 HA = 4.321(D), Expected = 4.28, Std = 0.4400, ChiSquare = 9.2576e-01 Q30 HB2 = 2.089(D), Expected = 2.05, Std = 0.2800, ChiSquare = 8.8922e-01 Q30 HB3 = 1.881(D), Expected = 2.04, Std = 0.2900, ChiSquare = 5.8350e-01 Q30 HE21 = 7.347(D), Expected = 7.17, Std = 0.4600, ChiSquare = 7.0040e-01 Q30 HE22 = 6.743(D), Expected = 7.07, Std = 0.4900, ChiSquare = 5.0455e-01 Q30 N = 116.104(D), Expected = 119.92, Std = 4.0100, ChiSquare = 3.4129e-01 Q30 NE2 = 111.505(D), Expected = 111.81, Std = 2.2000, ChiSquare = 8.8974e-01 E33 C = 179.832(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.6902e-01 E33 CA = 58.941(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.8736e-01 E33 CB = 29.878(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.1689e-01 E33 CG = 36.441(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.7531e-01 E33 H = 8.067(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.5448e-01 E33 HA = 3.965(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.9268e-01 E33 HG2 = 2.505(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.5311e-01 E33 HG3 = 2.350(D), Expected = 2.31, Std = 0.2100, ChiSquare = 8.4894e-01 E33 N = 117.412(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.7452e-01 A69 N = 106.265(S), Expected = 123.23, Std = 3.7000, ChiSquare = 4.5369e-06 K82 CG = 29.983(S), Expected = 24.91, Std = 1.3100, ChiSquare = 1.0772e-04