R1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 Q 0.1 R 0.1 H 0.09 C 0.09 E 0.08 W 0.07 L 0.07 Y 0.07 F 0.06 S 0.04 D 0.03 N 0.01 C Shift Assignments>> CA :: 56.729 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 :: 7.942 HA :: 4.120 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 :: 120.434 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.25 E 0.24 K 0.11 C Shift Assignments>> C :: 175.473 CA :: 55.613 CB :: 31.043 CG :: 34.569 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 :: 8.087 HA :: 4.266 HB2 :: 1.773 HB3 :: 1.879 HG2 :: 2.018 HG3 :: 2.158 HE21 :: 7.260 HE22 :: 6.514 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 :: 121.159 NE2 :: 111.158 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 E 0.2 Q 0.05 C Shift Assignments>> C :: 174.062 CA :: 52.998 CB :: 32.546 CG :: 35.683 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 :: 9.424 HA :: 4.739 HB2 :: 1.776 HB3 :: 1.640 HG2 :: 2.059 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 :: 123.674 Ave N Shift Values>> N :: 120.68(3.68) P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C 0.01 C Shift Assignments>> CA :: 62.954 CD :: 51.017 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.401 HB2 :: 2.170 HG2 :: 1.918 HD2 :: 3.579 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) P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.42 P 0.21 C 0.18 W 0.04 K 0.03 I 0.02 Q 0.02 R 0.01 E 0.01 C Shift Assignments>> C :: 174.948 CA :: 61.944 CB :: 33.147 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 :: 4.789 HB2 :: 1.710 HB3 :: 1.607 HD2 :: 3.541 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) K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 K 0.11 L 0.04 I 0.04 E 0.02 C Shift Assignments>> C :: 174.713 CA :: 54.212 CB :: 37.109 CG :: 25.073 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 :: 7.544 HA :: 4.407 HB2 :: 1.464 HG2 :: 1.116 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 :: 118.156 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 173.021 CA :: 60.510 CB :: 39.279 CG2 :: 18.596 CD1 :: 15.410 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 :: 8.451 HA :: 4.083 HB :: 1.248 HG2 :: 0.704 HD1 :: 0.433 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 :: 123.470 Ave N Shift Values>> N :: 121.6(4.72) H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.15 Q 0.14 C 0.14 W 0.13 E 0.12 K 0.09 C Shift Assignments>> C :: 175.843 CA :: 55.141 CB :: 30.133 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 :: 8.166 HA :: 4.511 HB2 :: 2.860 HB3 :: 2.623 HD2 :: 6.424 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 128.214 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.17 C 0.17 A 0.01 C Shift Assignments>> C :: 176.982 CA :: 54.494 CB :: 43.713 CD1 :: 24.226 CD2 :: 23.865 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 :: 7.751 HA :: 4.317 HB2 :: 1.447 HB3 :: 1.396 HD1 :: 0.554 HD2 :: 0.775 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 :: 122.633 Ave N Shift Values>> N :: 121.98(4.07) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.17 N 0.12 C 0.11 K 0.1 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 175.707 CA :: 54.144 CB :: 40.943 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 :: 8.538 HA :: 4.454 HB2 :: 2.582 HB3 :: 2.441 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 :: 122.191 Ave N Shift Values>> N :: 120.73(4.2) C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.18 K 0.13 C 0.12 F 0.11 Y 0.09 N 0.07 R 0.02 C Shift Assignments>> C :: 172.763 CA :: 55.100 CB :: 40.955 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.853 HA :: 4.698 HB2 :: 2.736 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.192 Ave N Shift Values>> N :: 119.95(4.79) P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 176.915 CA :: 62.188 CB :: 32.907 CD :: 50.828 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.933 HB2 :: 1.945 HD2 :: 3.595 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) G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 174.466 CA :: 45.241 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.210 HA2 :: 3.796 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.422 Ave N Shift Values>> N :: 109.91(4.29) R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.34 K 0.23 Q 0.03 C Shift Assignments>> C :: 175.846 CA :: 56.728 CB :: 31.011 CG :: 27.421 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 :: 7.978 HA :: 4.042 HB2 :: 1.690 HG2 :: 1.454 HD2 :: 3.045 HE :: 6.905 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 :: 117.729 NE :: 112.138 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.47 A 0.02 C Shift Assignments>> C :: 174.433 CA :: 58.187 CB :: 39.081 CG2 :: 17.483 CD1 :: 14.124 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 :: 7.655 HA :: 4.411 HB :: 1.706 HG2 :: 0.816 HD1 :: 0.463 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 :: 120.355 Ave N Shift Values>> N :: 121.6(4.72) P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.29 C Shift Assignments>> CA :: 62.748 CB :: 32.698 CD :: 51.366 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 :: 4.396 HB2 :: 1.914 HD2 :: 3.711 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) D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.2 C 0.17 Y 0.11 F 0.09 L 0.05 E 0.01 C Shift Assignments>> C :: 174.648 CA :: 54.048 CB :: 38.959 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 :: 8.326 HA :: 4.744 HB2 :: 2.437 HB3 :: 2.579 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 :: 122.017 Ave N Shift Values>> N :: 120.73(4.2) T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 173.823 CA :: 63.651 CB :: 70.161 CG2 :: 22.444 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 :: 8.187 HA :: 4.125 HB :: 3.715 HG2 :: 0.854 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 :: 119.678 Ave N Shift Values>> N :: 115.7(5.05) I19 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 :: 175.119 CA :: 61.052 CB :: 39.444 CG2 :: 17.791 CD1 :: 14.744 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 :: 8.914 HA :: 3.990 HB :: 1.678 HG2 :: 0.833 HD1 :: 0.696 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 :: 131.451 Ave N Shift Values>> N :: 121.6(4.72) V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 HN Overlap>> R28 C Shift Assignments>> CA :: 61.082 CB :: 33.251 CG1 :: 21.312 CG2 :: 22.709 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 :: 8.292 HA :: 4.804 HB :: 1.702 HG1 :: 0.574 HG2 :: 0.680 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 :: 127.839 Ave N Shift Values>> N :: 121.02(4.96) V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.21 I 0.01 C Shift Assignments>> C :: 175.953 CA :: 59.035 CB :: 35.964 CG1 :: 22.993 CG2 :: 21.309 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 :: 8.865 HA :: 4.366 HB :: 1.622 HG1 :: 0.615 HG2 :: 0.670 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 :: 128.341 Ave N Shift Values>> N :: 121.02(4.96) V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.29 C Shift Assignments>> C :: 176.350 CA :: 61.824 CB :: 32.980 CG1 :: 21.098 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 :: 8.242 HA :: 3.990 HB :: 1.856 HG1 :: 0.736 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 :: 128.359 Ave N Shift Values>> N :: 121.02(4.96) A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.03 I 0.02 C Shift Assignments>> C :: 178.430 CA :: 53.994 CB :: 17.878 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.762 HA :: 3.574 HB :: 1.128 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.063 Ave N Shift Values>> N :: 123.23(3.7) G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.695 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.593 HA2 :: 3.289 HA3 :: 4.243 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.115 Ave N Shift Values>> N :: 109.91(4.29) N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.29 C 0.13 L 0.07 F 0.04 Y 0.04 K 0.01 HN Overlap>> D67 C Shift Assignments>> CA :: 51.921 CB :: 39.927 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 :: 8.136 HA :: 4.779 HB2 :: 3.054 HB3 :: 2.675 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.681 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.23 C 0.23 K 0.22 W 0.06 R 0.06 H 0.06 E 0.05 V 0.03 C Shift Assignments>> C :: 176.173 CA :: 56.603 CB :: 33.506 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 :: 8.136 HA :: 4.316 HB2 :: 1.620 HG2 :: 1.493 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 :: 119.878 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.3 C 0.17 C Shift Assignments>> C :: 173.840 CA :: 53.483 CB :: 44.813 CD1 :: 24.415 CD2 :: 25.931 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 :: 8.620 HA :: 4.329 HB2 :: 1.069 HB3 :: 0.983 HD1 :: 0.596 HD2 :: 0.520 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 :: 129.795 Ave N Shift Values>> N :: 121.98(4.07) R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.22 Q 0.2 H 0.09 R 0.08 W 0.07 E 0.04 V 0.01 HN Overlap>> V20 C Shift Assignments>> C :: 174.482 CA :: 54.768 CB :: 33.106 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 :: 8.248 HA :: 4.982 HB2 :: 1.498 HG2 :: 1.163 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 :: 127.851 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.18 G 0.17 K 0.01 C Shift Assignments>> C :: 173.869 CA :: 53.497 CB :: 43.585 CD1 :: 24.753 CD2 :: 25.451 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 :: 9.278 HA :: 4.545 HB2 :: 1.162 HB3 :: 1.184 HD1 :: 0.663 HD2 :: 0.287 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 :: 128.771 Ave N Shift Values>> N :: 121.98(4.07) D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.18 D 0.16 C 0.12 G 0.09 K 0.05 F 0.03 N 0.02 Y 0.02 C Shift Assignments>> C :: 175.800 CA :: 53.113 CB :: 43.263 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 :: 8.193 HA :: 4.885 HB2 :: 2.630 HB3 :: 2.113 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 :: 124.170 Ave N Shift Values>> N :: 120.73(4.2) V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.37 C Shift Assignments>> C :: 173.840 CA :: 58.770 CB :: 34.300 CG1 :: 21.212 CG2 :: 22.861 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 :: 8.787 HA :: 4.544 HB :: 2.113 HG1 :: 0.791 HG2 :: 0.608 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 :: 124.129 Ave N Shift Values>> N :: 121.02(4.96) P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> C :: 176.950 CA :: 62.037 CB :: 33.382 CD :: 50.652 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 :: 4.733 HB2 :: 1.793 HD2 :: 3.546 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) I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.3 I 0.12 A 0.02 C Shift Assignments>> C :: 174.753 CA :: 59.181 CB :: 43.472 CG2 :: 18.527 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 :: 7.678 HA :: 5.257 HB :: 1.473 HG2 :: 0.601 HD1 :: 0.431 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.664 Ave N Shift Values>> N :: 121.6(4.72) S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 173.512 CA :: 57.431 CB :: 65.880 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.416 HA :: 4.688 HB2 :: 3.642 HB3 :: 3.863 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 :: 113.920 Ave N Shift Values>> N :: 116.3(3.95) G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 171.284 CA :: 45.023 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.982 HA2 :: 3.130 HA3 :: 3.791 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.553 Ave N Shift Values>> N :: 109.91(4.29) D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 C 0.11 R 0.08 D 0.06 C Shift Assignments>> CA :: 51.903 CB :: 44.199 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 :: 7.679 HA :: 4.523 HB2 :: 2.413 HB3 :: 2.270 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 :: 121.741 Ave N Shift Values>> N :: 120.73(4.2) P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.34 C 0.25 I 0.21 P 0.06 E 0.03 Y 0.03 F 0.01 K 0.01 C Shift Assignments>> C :: 176.262 CA :: 62.723 CB :: 35.221 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 :: 4.090 HB2 :: 2.330 HB3 :: 1.869 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) A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 175.791 CA :: 50.558 CB :: 18.653 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.516 HA :: 4.695 HB :: 1.266 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.003 Ave N Shift Values>> N :: 123.23(3.7) P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C 0.01 C Shift Assignments>> C :: 177.305 CA :: 62.592 CD :: 50.640 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 :: 4.438 HD2 :: 3.462 HD3 :: 3.558 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) T40 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 :: 174.234 CA :: 62.321 CB :: 70.283 CG2 :: 22.043 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 :: 8.820 HA :: 4.177 HB :: 3.892 HG2 :: 1.075 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.554 Ave N Shift Values>> N :: 115.7(5.05) V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.35 K 0.01 C Shift Assignments>> C :: 175.859 CA :: 61.293 CB :: 33.623 CG2 :: 21.719 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 :: 8.530 HA :: 4.789 HB :: 1.791 HG1 :: 0.666 HG2 :: 0.564 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.404 Ave N Shift Values>> N :: 121.02(4.96) I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.39 G 0.01 C Shift Assignments>> C :: 174.834 CA :: 60.366 CB :: 41.653 CG2 :: 18.611 CD1 :: 13.862 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 :: 8.839 HA :: 4.314 HB :: 1.456 HG2 :: 0.654 HD1 :: 0.563 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 :: 129.059 Ave N Shift Values>> N :: 121.6(4.72) W43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.44 C 0.4 H 0.15 C Shift Assignments>> C :: 176.063 CA :: 56.763 CB :: 31.009 CE3 :: 122.809 CZ2 :: 113.973 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 :: 8.915 HA :: 4.869 HB2 :: 3.033 HB3 :: 2.739 HD1 :: 6.947 HE1 :: 9.865 HE3 :: 6.222 HZ2 :: 6.930 HZ3 :: 6.607 HH2 :: 6.522 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 :: 128.660 NE1 :: 128.775 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.19 A 0.17 D 0.16 L 0.09 C 0.06 H 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 174.193 CA :: 53.805 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 :: 8.900 HA :: 5.205 HB2 :: 1.644 HG2 :: 1.686 HE21 :: 7.154 HE22 :: 7.026 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.076 NE2 :: 112.843 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 N 0.21 E 0.19 Y 0.11 F 0.05 K 0.03 D 0.02 I 0.01 C Shift Assignments>> C :: 175.392 CA :: 54.650 CB :: 36.679 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 :: 8.715 HA :: 4.463 HB2 :: 1.475 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 :: 121.857 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 L 0.01 C Shift Assignments>> C :: 177.657 CA :: 52.190 CB :: 19.714 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.193 HA :: 4.339 HB :: 1.119 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.208 Ave N Shift Values>> N :: 123.23(3.7) I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.940 CA :: 60.732 CB :: 39.164 CG1 :: 26.326 CG2 :: 18.482 CD1 :: 13.407 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 :: 8.266 HA :: 4.141 HB :: 1.637 HG2 :: 0.581 HG12 :: 1.221 HD1 :: 0.587 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 :: 122.250 Ave N Shift Values>> N :: 121.6(4.72) T48 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 :: 175.678 CA :: 61.426 CB :: 69.808 CG2 :: 21.798 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 :: 8.177 HA :: 4.293 HB :: 3.994 HG2 :: 0.952 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 :: 118.601 Ave N Shift Values>> N :: 115.7(5.05) Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 W 0.15 E 0.15 C 0.14 H 0.13 Q 0.1 K 0.08 V 0.02 I 0.02 C Shift Assignments>> C :: 175.983 CA :: 57.464 CB :: 30.798 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 :: 8.013 HA :: 4.208 HB2 :: 1.883 HG2 :: 2.041 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 :: 124.381 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.158 CA :: 45.352 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.869 HA2 :: 4.145 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.977 Ave N Shift Values>> N :: 109.91(4.29) N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.21 L 0.14 C 0.11 K 0.05 F 0.05 Y 0.04 R 0.01 HN Overlap>> V87 C Shift Assignments>> CA :: 52.600 CB :: 40.890 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 :: 8.061 HA :: 4.651 HB2 :: 2.499 HB3 :: 2.280 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.114 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.23 Q 0.22 R 0.07 H 0.07 W 0.07 E 0.04 V 0.02 C Shift Assignments>> C :: 176.114 CA :: 55.903 CB :: 33.270 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 :: 8.093 HA :: 4.092 HB2 :: 1.593 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.964 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 175.584 CA :: 50.449 CB :: 18.288 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.129 HA :: 4.312 HB :: 1.127 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.995 Ave N Shift Values>> N :: 123.23(3.7) P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.38 P 0.36 C 0.11 I 0.05 W 0.04 R 0.01 K 0.01 E 0.01 C Shift Assignments>> C :: 176.772 CA :: 62.781 CB :: 32.219 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 :: 4.178 HB2 :: 2.065 HG2 :: 1.686 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) A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 L 0.01 C Shift Assignments>> C :: 177.682 CA :: 52.242 CB :: 19.532 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.191 HA :: 4.079 HB :: 1.161 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.614 Ave N Shift Values>> N :: 123.23(3.7) R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.34 G 0.13 K 0.07 L 0.01 HN Overlap>> D74 C Shift Assignments>> CA :: 53.608 CB :: 30.507 CD :: 43.409 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 :: 8.053 HA :: 4.411 HB2 :: 1.636 HB3 :: 1.492 HG2 :: 1.469 HD2 :: 2.992 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 :: 121.562 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.37 C Shift Assignments>> C :: 176.408 CA :: 62.941 CB :: 32.170 CG :: 28.675 CD :: 51.768 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 :: 4.183 HB2 :: 2.061 HG2 :: 1.692 HD2 :: 3.545 HD3 :: 3.419 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) A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 175.996 CA :: 50.381 CB :: 18.692 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.191 HA :: 4.382 HB :: 1.185 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.367 Ave N Shift Values>> N :: 123.23(3.7) P59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.42 V 0.39 C 0.08 I 0.05 W 0.02 C Shift Assignments>> C :: 176.936 CA :: 63.635(D) CB :: 32.095(D) 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 :: 4.182 HB2 :: 1.788 HD2 :: 3.463 HD3 :: 3.585 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) D60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.16 N 0.15 C 0.11 F 0.08 K 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.629 CA :: 53.957(D) CB :: 40.755(D) 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 :: 8.148(D) HA :: 4.333(D) HB2 :: 2.485(D) 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 :: 117.676(D) Ave N Shift Values>> N :: 120.73(4.2) A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 175.662 CA :: 50.428(D) CB :: 18.821(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.625 HA :: 4.438(D) HB :: 1.183(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.107(D) Ave N Shift Values>> N :: 123.23(3.7) P62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.18 R 0.04 K 0.02 I 0.01 C Shift Assignments>> C :: 177.321 CA :: 63.041(D) CB :: 32.235(D) CG :: 27.557 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 :: 4.217 HB2 :: 2.089 HB3 :: 1.745 HG2 :: 1.820 HD2 :: 3.560 HD3 :: 3.453 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) E63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.43 C 0.41 K 0.06 I 0.05 Q 0.03 C Shift Assignments>> C :: 176.491 CA :: 56.635(D) CB :: 30.527(D) CG :: 36.488 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 :: 8.410(D) HA :: 4.066(D) HB2 :: 1.863(D) HB3 :: 1.750 HG2 :: 2.108 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 :: 120.909(D) Ave N Shift Values>> N :: 120.68(3.68) D64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.21 K 0.14 C 0.1 N 0.08 F 0.07 Y 0.06 R 0.04 C Shift Assignments>> C :: 176.815 CA :: 54.185(D) CB :: 41.437(D) 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 :: 8.196(D) HA :: 4.506(D) HB2 :: 2.506(D) 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 :: 121.679(D) Ave N Shift Values>> N :: 120.73(4.2) T65 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 :: 175.739 CA :: 61.874 CB :: 69.546 CG2 :: 21.763 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 :: 8.022 HA :: 4.151 HB :: 4.080 HG2 :: 1.005 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 :: 114.418 Ave N Shift Values>> N :: 115.7(5.05) G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.274 CA :: 45.472 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.284 HA2 :: 3.782 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.304 Ave N Shift Values>> N :: 109.91(4.29) D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.22 K 0.15 C 0.1 F 0.07 N 0.06 R 0.06 Y 0.05 HN Overlap>> N25 C Shift Assignments>> C :: 176.710 CA :: 54.335 CB :: 41.608 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 :: 8.064 HA :: 4.459 HB2 :: 2.438 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 :: 120.653 Ave N Shift Values>> N :: 120.73(4.2) S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.801 CA :: 58.377 CB :: 63.922 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.121 HA :: 4.185 HB2 :: 3.614 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 :: 116.164 Ave N Shift Values>> N :: 116.3(3.95) D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.07 R 0.03 HN Overlap>> E82 C Shift Assignments>> C :: 175.191 CA :: 54.631 CB :: 41.192 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 :: 8.222 HA :: 4.407 HB2 :: 2.410 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 :: 122.786 Ave N Shift Values>> N :: 120.73(4.2) E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.16 C 0.14 W 0.13 Q 0.13 E 0.13 K 0.07 C Shift Assignments>> C :: 176.769 CA :: 55.413 CB :: 30.487 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 :: 8.348 HA :: 3.984 HB2 :: 1.721 HG2 :: 1.826 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 :: 123.393 Ave N Shift Values>> N :: 120.68(3.68) W71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.14 W 0.14 Q 0.14 R 0.13 C 0.12 K 0.11 I 0.02 C Shift Assignments>> C :: 175.968 CA :: 56.883 CB :: 29.804 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.954 HA :: 4.450 HB2 :: 2.962 HD1 :: 6.888 HE1 :: 9.849 HE3 :: 7.543 HZ2 :: 7.264 HZ3 :: 7.018 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 :: 121.953 NE1 :: 129.425 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.28 C Shift Assignments>> C :: 175.699 CA :: 62.002 CB :: 33.148 CG1 :: 21.078 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 :: 7.566 HA :: 3.790 HB :: 1.658 HG1 :: 0.522 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 :: 121.856 Ave N Shift Values>> N :: 121.02(4.96) F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.36 C 0.26 C Shift Assignments>> C :: 175.529 CA :: 57.540 CB :: 39.889 CD1 :: 131.916 CE1 :: 131.490 CZ :: 129.905 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.909 HA :: 4.413 HB2 :: 2.717 HB3 :: 2.936 HD1 :: 7.014 HE1 :: 7.115 HZ :: 7.048 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.172 Ave N Shift Values>> N :: 120.69(4.18) D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 K 0.12 C 0.1 N 0.09 F 0.07 Y 0.06 R 0.03 HN Overlap>> R56 C Shift Assignments>> C :: 176.059 CA :: 54.148 CB :: 41.275 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 :: 8.112 HA :: 4.417 HB2 :: 2.443 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 :: 121.587 Ave N Shift Values>> N :: 120.73(4.2) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.19 K 0.14 W 0.1 Q 0.1 R 0.07 E 0.05 H 0.04 P 0.01 I 0.01 HN Overlap>> K76 C Shift Assignments>> C :: 175.891 CA :: 59.567 CB :: 33.016 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 :: 7.723 HA :: 4.221 HB2 :: 1.859 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 :: 121.190 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 C 0.22 Q 0.16 R 0.1 H 0.1 W 0.09 E 0.06 V 0.02 HN Overlap>> K75 C Shift Assignments>> C :: 176.012 CA :: 55.683 CB :: 32.809 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 :: 7.752 HA :: 4.247 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 :: 121.166 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 K 0.26 C 0.24 R 0.07 G 0.01 C Shift Assignments>> CA :: 55.375 CB :: 42.328 CD1 :: 26.646 CD2 :: 25.774 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 :: 7.931 HA :: 4.118 HD1 :: 0.674 HD2 :: 0.763 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 :: 122.243 Ave N Shift Values>> N :: 121.98(4.07) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 K 0.27 C 0.14 R 0.03 A 0.01 V 0.01 C Shift Assignments>> CA :: 54.961 CD1 :: 23.604 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 :: 8.276 HA :: 4.177 HB2 :: 1.412 HD1 :: 0.670 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 :: 125.600 Ave N Shift Values>> N :: 121.98(4.07) C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.22 K 0.15 C 0.1 D 0.09 F 0.07 Y 0.05 G 0.01 C Shift Assignments>> C :: 174.736 CA :: 55.989 CB :: 42.702 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.137 HA :: 4.660 HB2 :: 2.732 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 :: 123.958 Ave N Shift Values>> N :: 119.95(4.79) E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 H 0.15 E 0.15 W 0.15 C 0.14 Q 0.12 K 0.07 I 0.01 V 0.01 HN Overlap>> T112 C Shift Assignments>> C :: 176.511 CA :: 56.637 CB :: 30.547 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 :: 8.294 HA :: 4.108 HB2 :: 1.734 HG2 :: 1.879 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 :: 122.949 Ave N Shift Values>> N :: 120.68(3.68) T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.148 CB :: 69.673 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 :: 8.127 HA :: 4.389 HB :: 3.938 HG2 :: 1.165 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 :: 121.451 Ave N Shift Values>> N :: 115.7(5.05) E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.11 H 0.1 K 0.1 R 0.1 C 0.09 E 0.08 W 0.07 L 0.07 Y 0.06 F 0.06 S 0.04 D 0.03 N 0.01 A 0.01 HN Overlap>> D69 C Shift Assignments>> CA :: 56.593 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 :: 8.285 HA :: 4.127 HB2 :: 1.688 HG2 :: 1.957 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 :: 122.801 Ave N Shift Values>> N :: 120.68(3.68) G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.23 R 0.21 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.368 CA :: 44.291 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.271 HA2 :: 3.761 HA3 :: 4.355 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.337 Ave N Shift Values>> N :: 109.91(4.29) R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 H 0.16 C 0.15 W 0.13 E 0.13 K 0.11 Q 0.1 V 0.01 C Shift Assignments>> C :: 175.507 CA :: 56.024 CB :: 31.122 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 :: 7.870 HA :: 4.173 HB2 :: 1.904 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 :: 120.590 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.32 I 0.05 C Shift Assignments>> C :: 175.574 CA :: 60.836 CB :: 36.053 CG1 :: 21.855 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 :: 7.504 HA :: 4.374 HB :: 1.771 HG1 :: 0.668 HG2 :: 0.726 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 :: 118.273 Ave N Shift Values>> N :: 121.02(4.96) R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.21 H 0.06 R 0.05 E 0.05 W 0.05 V 0.01 C Shift Assignments>> CA :: 54.540 CB :: 33.709 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 :: 8.318 HA :: 4.424 HB2 :: 1.460 HB3 :: 1.601 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 :: 125.773 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 HN Overlap>> N51 C Shift Assignments>> C :: 175.998 CA :: 60.816 CB :: 32.929 CG1 :: 21.790 CG2 :: 21.217 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 :: 8.076 HA :: 4.504 HB :: 1.604 HG1 :: 0.611 HG2 :: 0.404 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.115 Ave N Shift Values>> N :: 121.02(4.96) E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 K 0.22 Q 0.2 H 0.09 R 0.09 W 0.07 E 0.04 V 0.01 C Shift Assignments>> CA :: 54.857 CB :: 33.065 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 :: 8.798 HA :: 4.540 HB2 :: 1.673 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.515 Ave N Shift Values>> N :: 120.68(3.68) T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 C 0.46 C Shift Assignments>> C :: 174.458 CA :: 62.183 CB :: 70.868 CG2 :: 24.447 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 :: 9.020 HA :: 5.051 HB :: 3.876 HG2 :: 1.171 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 :: 126.217 Ave N Shift Values>> N :: 115.7(5.05) T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 174.592 CA :: 59.588 CB :: 71.264 CG2 :: 22.039 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 :: 9.218 HA :: 4.605 HB :: 4.556 HG2 :: 1.040 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 :: 122.168 Ave N Shift Values>> N :: 115.7(5.05) K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.17 W 0.12 V 0.11 R 0.1 Q 0.09 E 0.07 H 0.07 I 0.01 HN Overlap>> E119 C Shift Assignments>> C :: 176.023 CA :: 58.687 CB :: 32.624 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 :: 8.148 HA :: 4.531 HB2 :: 1.642 HB3 :: 1.784 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 :: 116.730 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.2 R 0.16 C 0.11 K 0.08 G 0.04 F 0.03 N 0.03 Y 0.02 C Shift Assignments>> C :: 177.082 CA :: 53.200 CB :: 42.848 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 :: 7.711 HA :: 4.831 HB2 :: 2.679 HB3 :: 2.437 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 :: 112.350 Ave N Shift Values>> N :: 120.73(4.2) R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.19 G 0.14 K 0.13 C Shift Assignments>> C :: 173.981 CA :: 55.661 CB :: 33.685 CD :: 43.694 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 :: 7.439 HA :: 4.974 HB2 :: 1.674 HB3 :: 1.502 HD2 :: 2.872 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 :: 120.038 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.279 CA :: 57.910 CB :: 65.013 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.705 HA :: 5.202 HB2 :: 3.614 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 :: 115.888 Ave N Shift Values>> N :: 116.3(3.95) I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> CA :: 59.817 CB :: 40.997 CG2 :: 18.408 CD1 :: 14.474 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 :: 8.784 HA :: 5.084 HB :: 1.533 HG2 :: 0.514 HD1 :: 0.561 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 :: 127.369 Ave N Shift Values>> N :: 121.6(4.72) F96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.48 C 0.28 Y 0.22 C Shift Assignments>> CA :: 55.543 CB :: 41.098 CD1 :: 130.448 CE1 :: 130.266 CZ :: 129.331 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 :: 8.789 HA :: 4.496 HB2 :: 0.478(S) HD1 :: 5.961 HE1 :: 6.421 HZ :: 6.829 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 :: 134.035 Ave N Shift Values>> N :: 120.69(4.18) T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> CA :: 60.171 CB :: 71.619 CG2 :: 21.652 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 :: 8.297 HA :: 4.980 HB :: 4.386 HG2 :: 0.754 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 :: 121.388 Ave N Shift Values>> N :: 115.7(5.05) V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.39 K 0.04 I 0.04 C Shift Assignments>> C :: 176.126 CA :: 60.763 CB :: 35.053 CG1 :: 22.565 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 :: 8.444 HA :: 4.242 HB :: 1.597 HG1 :: 0.534 HG2 :: 0.750 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 :: 123.113 Ave N Shift Values>> N :: 121.02(4.96) E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.14 Q 0.1 I 0.04 C Shift Assignments>> C :: 176.230 CA :: 56.728 CB :: 29.679 CG :: 35.835 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 :: 8.458 HA :: 3.882 HB2 :: 1.624 HG2 :: 1.970 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 :: 126.677 Ave N Shift Values>> N :: 120.68(3.68) G100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 174.091 CA :: 46.492(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.602(D) HA2 :: 3.330(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.578(D) Ave N Shift Values>> N :: 109.91(4.29) A101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 C 0.04 L 0.01 C Shift Assignments>> C :: 177.043 CA :: 53.222(D) CB :: 19.514(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.401(D) HA :: 3.891(D) HB :: 1.057(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.958(D) Ave N Shift Values>> N :: 123.23(3.7) E102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.86 E 0.11 Q 0.02 C Shift Assignments>> C :: 177.544 CA :: 53.703(D) CB :: 33.799(D) CG :: 35.648 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 :: 9.610(D) HA :: 4.573(D) HB2 :: 1.597(D) HG2 :: 2.126(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 :: 122.892(D) Ave N Shift Values>> N :: 120.68(3.68) K103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 K 0.32 R 0.13 V 0.1 C Shift Assignments>> C :: 179.102 CA :: 59.451(D) CB :: 31.552(D) CG :: 24.573 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 :: 8.961(D) HA :: 3.610(D) HB2 :: 1.590(D) HB3 :: 1.687 HG2 :: 1.306 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 :: 122.929(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 E 0.34 I 0.22 K 0.05 C Shift Assignments>> C :: 176.727 CA :: 58.671(D) CB :: 29.353(D) CG :: 36.985 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 :: 8.440(D) HA :: 3.977(D) HB2 :: 1.871(D) HG2 :: 2.079 HG3 :: 2.139 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 :: 115.717(D) Ave N Shift Values>> N :: 120.68(3.68) D105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.21 K 0.19 D 0.16 C 0.1 F 0.1 Y 0.08 R 0.08 N 0.02 C Shift Assignments>> C :: 177.164 CA :: 55.712(D) CB :: 41.624(D) 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 :: 8.158(D) HA :: 4.217(D) HB2 :: 2.673(D) HB3 :: 2.420 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 :: 116.307(D) Ave N Shift Values>> N :: 120.73(4.2) E106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.16 H 0.15 W 0.15 E 0.15 C 0.14 Q 0.11 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 175.318(D) CA :: 56.861(D) CB :: 30.672(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 :: 7.653(D) HA :: 3.914(D) HB2 :: 2.025(D) HB3 :: 2.261 HG2 :: 1.922 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 :: 121.378(D) Ave N Shift Values>> N :: 120.68(3.68) G107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.36 L 0.23 R 0.21 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.288 CA :: 44.290(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.424(D) HA2 :: 3.747(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.575(D) Ave N Shift Values>> N :: 109.91(4.29) V108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.68 C 0.3 HN Overlap>> Q121 C Shift Assignments>> C :: 175.875 CA :: 61.763(D) CB :: 33.536(D) CG1 :: 21.259 CG2 :: 21.581 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 :: 8.012 HA :: 4.634(D) HB :: 1.610(D) HG1 :: 0.561(D) HG2 :: 0.750(D) 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 :: 120.225(D) Ave N Shift Values>> N :: 121.02(4.96) Y109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 175.432 CA :: 56.744(D) CB :: 40.649(D) CD1 :: 133.084 CE1 :: 117.150 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 :: 9.708(D) HA :: 4.970(D) HB2 :: 2.507(D) HB3 :: 2.763 HD1 :: 6.659 HE1 :: 6.434 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 :: 130.390(D) Ave N Shift Values>> N :: 120.79(4.69) T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.406 CA :: 61.504 CB :: 71.757 CG2 :: 21.944 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 :: 9.048 HA :: 4.974 HB :: 3.334 HG2 :: 0.840 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 :: 119.757 Ave N Shift Values>> N :: 115.7(5.05) V111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 174.030 CA :: 59.203 CB :: 32.751 CG1 :: 19.831 CG2 :: 20.131 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 :: 8.425 HA :: 4.217 HB :: 0.634(S) HG1 :: -0.052(S) HG2 :: -0.608(S) 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 :: 128.767 Ave N Shift Values>> N :: 121.02(4.96) T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 HN Overlap>> E80 C Shift Assignments>> C :: 174.226 CA :: 61.310 CB :: 71.826 CG2 :: 21.220 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 :: 8.358 HA :: 4.791 HB :: 3.563 HG2 :: 0.907 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 :: 122.932 Ave N Shift Values>> N :: 115.7(5.05) V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.22 V 0.15 I 0.01 C Shift Assignments>> C :: 174.705 CA :: 58.257 CB :: 34.511 CG1 :: 23.093 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 :: 8.742 HA :: 5.163 HB :: 1.551 HG1 :: 0.575 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 :: 120.317 Ave N Shift Values>> N :: 121.02(4.96) K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.25 Q 0.2 R 0.17 E 0.01 C Shift Assignments>> C :: 175.368 CA :: 55.434 CB :: 33.178 CG :: 26.402 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 :: 8.463 HA :: 5.017 HB2 :: 1.596 HB3 :: 1.492 HG2 :: 1.418 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 :: 121.791 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.3 C 0.13 L 0.07 F 0.04 Y 0.04 K 0.01 C Shift Assignments>> CA :: 51.755 CB :: 40.138 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 :: 8.890 HA :: 4.783 HB2 :: 2.626 HB3 :: 2.568 HD21 :: 7.405 HD22 :: 6.742 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.539 ND2 :: 112.957 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 177.060 CA :: 65.796 CB :: 29.557 CD :: 49.758 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 :: 4.178 HB2 :: 1.914 HD2 :: 3.578 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) V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 176.273 CA :: 60.747 CB :: 32.687 CG1 :: 22.506 CG2 :: 20.611 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 :: 7.592 HA :: 4.210 HB :: 2.153 HG1 :: 0.659 HG2 :: 0.470 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 :: 109.097 Ave N Shift Values>> N :: 121.02(4.96) G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 170.049 CA :: 46.514 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.466 HA2 :: 3.895 HA3 :: 4.080 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.524 Ave N Shift Values>> N :: 109.91(4.29) E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 E 0.07 HN Overlap>> K91 C Shift Assignments>> C :: 174.519 CA :: 54.673 CB :: 34.517 CG :: 36.190 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 :: 8.172 HA :: 5.284 HB2 :: 1.786 HG2 :: 1.921 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.622 Ave N Shift Values>> N :: 120.68(3.68) D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.15 C 0.1 R 0.04 D 0.02 C Shift Assignments>> C :: 174.005 CA :: 53.383 CB :: 45.112 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 :: 8.670 HA :: 4.807 HB2 :: 2.579 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 :: 121.069 Ave N Shift Values>> N :: 120.73(4.2) Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.3 E 0.17 K 0.17 R 0.01 HN Overlap>> V108 C Shift Assignments>> CA :: 54.843 CB :: 30.535 CG :: 34.224 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 :: 7.995 HA :: 5.398 HB2 :: 1.794 HG2 :: 1.970 HE21 :: 7.465 HE22 :: 6.538 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.180 NE2 :: 113.109 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.37 C Shift Assignments>> CA :: 60.423 CB :: 36.276 CG1 :: 21.005 CG2 :: 21.343 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 :: 8.208 HA :: 4.309 HB :: 1.774 HG1 :: 0.612 HG2 :: 0.733 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 :: 119.544 Ave N Shift Values>> N :: 121.02(4.96) N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.27 C 0.13 L 0.12 F 0.04 K 0.03 Y 0.03 C Shift Assignments>> C :: 174.689 CA :: 51.548 CB :: 40.868 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 :: 7.943 HA :: 5.576 HB2 :: 2.477 HB3 :: 2.162 HD21 :: 7.286 HD22 :: 6.685 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 :: 121.089 ND2 :: 114.140 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.27 K 0.15 C Shift Assignments>> C :: 175.724 CA :: 53.744 CB :: 41.115 CD1 :: 24.569 CD2 :: 26.101 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 :: 9.454 HA :: 4.689 HB2 :: 1.233 HB3 :: 1.361 HG :: 1.568 HD1 :: 0.721 HD2 :: 0.773 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 :: 124.291 Ave N Shift Values>> N :: 121.98(4.07) T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.350 CA :: 62.879 CB :: 70.979 CG2 :: 22.033 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 :: 9.065 HA :: 4.760 HB :: 3.957 HG2 :: 0.985 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 :: 120.431 Ave N Shift Values>> N :: 115.7(5.05) V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.36 C Shift Assignments>> C :: 175.938 CA :: 60.689 CB :: 35.428 CG1 :: 23.381 CG2 :: 21.995 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 :: 8.987 HA :: 4.972 HB :: 2.118 HG1 :: 0.733 HG2 :: 0.641 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 :: 127.106 Ave N Shift Values>> N :: 121.02(4.96) K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.22 N 0.14 Y 0.08 K 0.07 Q 0.04 F 0.03 I 0.01 C Shift Assignments>> C :: 174.195 CA :: 54.587 CB :: 35.992 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.194 HA :: 4.549 HB2 :: 1.548 HB3 :: 1.408 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 :: 130.777 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.1 C Shift Assignments>> C :: 176.246 CA :: 60.368 CG1 :: 20.308 CG2 :: 20.122 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 :: 8.891 HA :: 5.020 HB :: 1.657 HG1 :: 0.414 HG2 :: 0.576 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.406 Ave N Shift Values>> N :: 121.02(4.96) I129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 174.385 CA :: 59.561 CB :: 39.141 CG2 :: 17.826 CD1 :: 13.206 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 :: 8.527 HA :: 4.411 HB :: 1.656 HG2 :: 0.713 HD1 :: 0.581 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 :: 124.073 Ave N Shift Values>> N :: 121.6(4.72) D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.19 K 0.16 D 0.11 C 0.1 F 0.07 Y 0.05 G 0.01 N 0.01 C Shift Assignments>> C :: 181.062 CA :: 55.833 CB :: 42.535 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 :: 7.742 HA :: 4.266 HB2 :: 2.373 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.038 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 112 #Clerical: 16 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 130 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 130 #Suspicious: 0 C Shift Results: #Consistent: 418 #Duplicate: 31 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 501 #Duplicate: 41 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 112 #Duplicate: 14 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: P59 CA = 63.635(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.3814e-01 P59 CB = 32.095(D), Expected = 31.81, Std = 1.5400, ChiSquare = 8.5318e-01 D60 CA = 53.957(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.8863e-01 D60 CB = 40.755(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.7373e-01 D60 H = 8.148(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.4950e-01 D60 HA = 4.333(D), Expected = 4.61, Std = 0.3100, ChiSquare = 3.7156e-01 D60 HB2 = 2.485(D), Expected = 2.74, Std = 0.2900, ChiSquare = 3.7923e-01 D60 N = 117.676(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.6714e-01 A61 CA = 50.428(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.8477e-01 A61 CB = 18.821(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.6594e-01 A61 HA = 4.438(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.7170e-01 A61 HB = 1.183(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.3070e-01 A61 N = 124.107(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.1264e-01 P62 CA = 63.041(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.7451e-01 P62 CB = 32.235(D), Expected = 31.81, Std = 1.5400, ChiSquare = 7.8257e-01 E63 CA = 56.635(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.2001e-01 E63 CB = 30.527(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.0385e-01 E63 H = 8.410(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.0864e-01 E63 HA = 4.066(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.5187e-01 E63 HB2 = 1.863(D), Expected = 2.04, Std = 0.2200, ChiSquare = 4.2108e-01 E63 N = 120.909(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.5038e-01 D64 CA = 54.185(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.7326e-01 D64 CB = 41.437(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.5898e-01 D64 H = 8.196(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.1414e-01 D64 HA = 4.506(D), Expected = 4.61, Std = 0.3100, ChiSquare = 7.3726e-01 D64 HB2 = 2.506(D), Expected = 2.74, Std = 0.2900, ChiSquare = 4.1973e-01 D64 N = 121.679(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.2124e-01 F96 HB2 = 0.478(S), Expected = 2.99, Std = 0.3700, ChiSquare = 1.1277e-11 G100 CA = 46.492(D), Expected = 45.33, Std = 1.4200, ChiSquare = 4.1318e-01 G100 H = 7.602(D), Expected = 8.34, Std = 0.7400, ChiSquare = 3.1862e-01 G100 HA2 = 3.330(D), Expected = 3.95, Std = 0.4000, ChiSquare = 1.2114e-01 G100 N = 109.578(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.3831e-01 A101 CA = 53.222(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.7599e-01 A101 CB = 19.514(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.3997e-01 A101 H = 8.401(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3762e-01 A101 HA = 3.891(D), Expected = 4.26, Std = 0.4200, ChiSquare = 3.7963e-01 A101 HB = 1.057(D), Expected = 1.38, Std = 0.2500, ChiSquare = 1.9636e-01 A101 N = 123.958(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.4402e-01 E102 CA = 53.703(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.9647e-02 E102 CB = 33.799(D), Expected = 30.07, Std = 1.8400, ChiSquare = 4.2700e-02 E102 H = 9.610(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.7345e-02 E102 HA = 4.573(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.6667e-01 E102 HB2 = 1.597(D), Expected = 2.04, Std = 0.2200, ChiSquare = 4.4048e-02 E102 HG2 = 2.126(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.8093e-01 E102 N = 122.892(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.4778e-01 K103 CA = 59.451(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.4587e-01 K103 CB = 31.552(D), Expected = 32.83, Std = 1.8800, ChiSquare = 4.9664e-01 K103 H = 8.961(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.4694e-01 K103 HA = 3.610(D), Expected = 4.28, Std = 0.4500, ChiSquare = 1.3652e-01 K103 HB2 = 1.590(D), Expected = 1.79, Std = 0.2500, ChiSquare = 4.2371e-01 K103 N = 122.929(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.6689e-01 E104 CA = 58.671(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.6784e-01 E104 CB = 29.353(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.9678e-01 E104 H = 8.440(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.6978e-01 E104 HA = 3.977(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.1045e-01 E104 HB2 = 1.871(D), Expected = 2.04, Std = 0.2200, ChiSquare = 4.4238e-01 E104 N = 115.717(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.7745e-01 D105 CA = 55.712(D), Expected = 54.52, Std = 2.1000, ChiSquare = 5.7029e-01 D105 CB = 41.624(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.8006e-01 D105 H = 8.158(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.6284e-01 D105 HA = 4.217(D), Expected = 4.61, Std = 0.3100, ChiSquare = 2.0489e-01 D105 HB2 = 2.673(D), Expected = 2.74, Std = 0.2900, ChiSquare = 8.1729e-01 D105 N = 116.307(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.9230e-01 E106 C = 175.318(D), Expected = 176.93, Std = 2.1100, ChiSquare = 4.4488e-01 E106 CA = 56.861(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.9853e-01 E106 CB = 30.672(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.4354e-01 E106 H = 7.653(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.6007e-01 E106 HA = 3.914(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.2102e-01 E106 HB2 = 2.025(D), Expected = 2.04, Std = 0.2200, ChiSquare = 9.4564e-01 E106 N = 121.378(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.4956e-01 G107 CA = 44.290(D), Expected = 45.33, Std = 1.4200, ChiSquare = 4.6393e-01 G107 H = 8.424(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.0962e-01 G107 HA2 = 3.747(D), Expected = 3.95, Std = 0.4000, ChiSquare = 6.1180e-01 G107 N = 110.575(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.7681e-01 V108 CA = 61.763(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.1354e-01 V108 CB = 33.536(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.4649e-01 V108 HA = 4.634(D), Expected = 4.16, Std = 0.5700, ChiSquare = 4.0565e-01 V108 HB = 1.610(D), Expected = 1.99, Std = 0.3300, ChiSquare = 2.4952e-01 V108 HG1 = 0.561(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.0145e-01 V108 HG2 = 0.750(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.8265e-01 V108 N = 120.225(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.7266e-01 Y109 CA = 56.744(D), Expected = 58.02, Std = 2.6400, ChiSquare = 6.2886e-01 Y109 CB = 40.649(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.0432e-01 Y109 H = 9.708(D), Expected = 8.37, Std = 0.7500, ChiSquare = 7.4424e-02 Y109 HA = 4.970(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.4376e-01 Y109 HB2 = 2.507(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.7607e-01 Y109 N = 130.390(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.0667e-02 V111 HB = 0.634(S), Expected = 1.99, Std = 0.3300, ChiSquare = 3.9722e-05 V111 HG1 = -0.052(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.5417e-04 V111 HG2 = -0.608(S), Expected = 0.83, Std = 0.2900, ChiSquare = 7.0995e-07